N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

C22H32N6O — CID 109229856

IUPACN-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H32N6O/c1-26(2)10-4-9-24-22(29)18-15-20(17-23-16-18)25-19-5-7-21(8-6-19)28-13-11-27(3)12-14-28/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,24,29)
InChIKeySEOPKLLONADWET-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.26
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 109229856) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID109229856
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H32N6O/c1-26(2)10-4-9-24-22(29)18-15-20(17-23-16-18)25-19-5-7-21(8-6-19)28-13-11-27(3)12-14-28/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,24,29)
InChIKeySEOPKLLONADWET-UHFFFAOYSA-N
XLogP2.26
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (CID 109229856) is N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is SEOPKLLONADWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-26(2)10-4-9-24-22(29)18-15-20(17-23-16-18)25-19-5-7-21(8-6-19)28-13-11-27(3)12-14-28/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,24,29).
What are the key properties of N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109229856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).