N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide

C26H26N6O — CID 140809745

IUPACN-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide
SMILESCc1ccc(C2(NC(=O)c3ccncc3)CC2)cc1-c1cnc(N2CCNCC2)c(C#N)c1
InChIInChI=1S/C26H26N6O/c1-18-2-3-22(26(6-7-26)31-25(33)19-4-8-28-9-5-19)15-23(18)21-14-20(16-27)24(30-17-21)32-12-10-29-11-13-32/h2-5,8-9,14-15,17,29H,6-7,10-13H2,1H3,(H,31,33)
InChIKeySEBQWXGKEXCWHM-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide

N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide (PubChem CID 140809745) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide
PubChem CID140809745
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide
SMILESCc1ccc(C2(NC(=O)c3ccncc3)CC2)cc1-c1cnc(N2CCNCC2)c(C#N)c1
InChIInChI=1S/C26H26N6O/c1-18-2-3-22(26(6-7-26)31-25(33)19-4-8-28-9-5-19)15-23(18)21-14-20(16-27)24(30-17-21)32-12-10-29-11-13-32/h2-5,8-9,14-15,17,29H,6-7,10-13H2,1H3,(H,31,33)
InChIKeySEBQWXGKEXCWHM-UHFFFAOYSA-N
XLogP3.15
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide 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-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130404989
(Z,2E)-4-amino-2-(aminomethylidene)-5-cyano-N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-5-methylhex-3-enamide
CID 155216219
3-[5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-4-methylbenzoic acid
CID 118946250
tert-butyl 4-[3-cyano-5-(5-methoxycarbonyl-2-methylphenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 118946246
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide
CID 130405118
5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459
2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide
CID 129115773
5-[5-cyano-6-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227747
(Z,2E)-4-amino-2-(aminomethylidene)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-fluoro-5-methylhex-3-enamide
CID 155216212
(E,2E)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-fluoro-4,5-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
CID 139435426
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
4-[1-[[5-chloro-2-[3-(3-piperazin-1-ylphenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 57378222

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide (CID 140809745) is N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide is Cc1ccc(C2(NC(=O)c3ccncc3)CC2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.
What is the InChIKey of N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide?
The InChIKey is SEBQWXGKEXCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-18-2-3-22(26(6-7-26)31-25(33)19-4-8-28-9-5-19)15-23(18)21-14-20(16-27)24(30-17-21)32-12-10-29-11-13-32/h2-5,8-9,14-15,17,29H,6-7,10-13H2,1H3,(H,31,33).
What are the key properties of N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide?
N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 140809745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).