N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide

C25H33N5O3 — CID 71135450

IUPACN-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccc(NC(C)=O)cc3)cc2N)C[C@H]1C
InChIInChI=1S/C25H33N5O3/c1-16-15-29(11-12-30(16)23(32)10-13-33-3)25-22(26)14-21(24(28-25)19-4-5-19)18-6-8-20(9-7-18)27-17(2)31/h6-9,14,16,19H,4-5,10-13,15,26H2,1-3H3,(H,27,31)/t16-/m1/s1
InChIKeyHRHLQWUXAHZZDI-MRXNPFEDSA-N
MW451.57 g/mol
LogP3.24
Rot. Bonds7

About N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide

N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide (PubChem CID 71135450) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
PubChem CID71135450
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccc(NC(C)=O)cc3)cc2N)C[C@H]1C
InChIInChI=1S/C25H33N5O3/c1-16-15-29(11-12-30(16)23(32)10-13-33-3)25-22(26)14-21(24(28-25)19-4-5-19)18-6-8-20(9-7-18)27-17(2)31/h6-9,14,16,19H,4-5,10-13,15,26H2,1-3H3,(H,27,31)/t16-/m1/s1
InChIKeyHRHLQWUXAHZZDI-MRXNPFEDSA-N
XLogP3.24
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide 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

N-[4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 90301565
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(4-morpholin-4-ylphenyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71131463
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]acetamide
CID 71131460
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenyl-3-pyridinyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300162
1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136820
4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]benzamide
CID 71119558
1-[(2R)-4-[3-amino-5-(3-amino-4-fluorophenyl)-6-cyclopropyl-4-methyl-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300122
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300134
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300101
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(3-fluoro-4-phenylphenyl)-4-methyl-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136826
5-(2-amino-1,3-benzothiazol-6-yl)-6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288553
1-[(2R)-4-[3-amino-6-cyclopropyl-5-[(4-ethenylpyrimidin-2-yl)amino]-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89304086

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide (CID 71135450) is N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide is COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccc(NC(C)=O)cc3)cc2N)C[C@H]1C.
What is the InChIKey of N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is HRHLQWUXAHZZDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16-15-29(11-12-30(16)23(32)10-13-33-3)25-22(26)14-21(24(28-25)19-4-5-19)18-6-8-20(9-7-18)27-17(2)31/h6-9,14,16,19H,4-5,10-13,15,26H2,1-3H3,(H,27,31)/t16-/m1/s1.
What are the key properties of N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide?
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 71135450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).