N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide

C32H46N6O2 — CID 146386678

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide
SMILESC=N/C=C\c1nc(-c2ccc(CCC(=O)NCC(=O)N(CC)CC)cc2)cc(NCCCN2CCCCC2)c1C
InChIInChI=1S/C32H46N6O2/c1-5-38(6-2)32(40)24-35-31(39)16-13-26-11-14-27(15-12-26)30-23-29(25(3)28(36-30)17-19-33-4)34-18-10-22-37-20-8-7-9-21-37/h11-12,14-15,17,19,23H,4-10,13,16,18,20-22,24H2,1-3H3,(H,34,36)(H,35,39)/b19-17-
InChIKeyOICLIJLTWKQNOL-ZPHPHTNESA-N
MW546.76 g/mol
LogP4.93
Rot. Bonds15

About N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide

N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide (PubChem CID 146386678) has the molecular formula C32H46N6O2 and a molecular weight of 546.76 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide
PubChem CID146386678
Molecular FormulaC32H46N6O2
Molecular Weight546.76 g/mol
Exact Mass546.37
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide
SMILESC=N/C=C\c1nc(-c2ccc(CCC(=O)NCC(=O)N(CC)CC)cc2)cc(NCCCN2CCCCC2)c1C
InChIInChI=1S/C32H46N6O2/c1-5-38(6-2)32(40)24-35-31(39)16-13-26-11-14-27(15-12-26)30-23-29(25(3)28(36-30)17-19-33-4)34-18-10-22-37-20-8-7-9-21-37/h11-12,14-15,17,19,23H,4-10,13,16,18,20-22,24H2,1-3H3,(H,34,36)(H,35,39)/b19-17-
InChIKeyOICLIJLTWKQNOL-ZPHPHTNESA-N
XLogP4.93
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.76
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanoic acid
CID 146386677
2-[3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]propanoylamino]acetic acid
CID 142467394
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135372300
N,N-diethyl-2-fluoro-4-[7-(3-piperidin-1-ylpropylamino)thieno[3,2-b]pyridin-5-yl]benzamide
CID 162759734
ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine
CID 142467357
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476
4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
N,N-diethyl-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;N-ethylethanamine;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 159815289
4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 135371489
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide (CID 146386678) is N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide is C=N/C=C\c1nc(-c2ccc(CCC(=O)NCC(=O)N(CC)CC)cc2)cc(NCCCN2CCCCC2)c1C.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide?
The InChIKey is OICLIJLTWKQNOL-ZPHPHTNESA-N. The full InChI is InChI=1S/C32H46N6O2/c1-5-38(6-2)32(40)24-35-31(39)16-13-26-11-14-27(15-12-26)30-23-29(25(3)28(36-30)17-19-33-4)34-18-10-22-37-20-8-7-9-21-37/h11-12,14-15,17,19,23H,4-10,13,16,18,20-22,24H2,1-3H3,(H,34,36)(H,35,39)/b19-17-.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide?
N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide has a molecular weight of 546.76 g/mol, XLogP of 4.93, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-[4-[5-methyl-6-[(Z)-2-(methylideneamino)ethenyl]-4-(3-piperidin-1-ylpropylamino)-2-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 146386678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).