N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide

C26H28N6O3 — CID 176837568

IUPACN-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCN(C(=O)c3cccnc3)C[C@@H]2C)[nH]c(=O)c1
InChIInChI=1S/C26H28N6O3/c1-16-13-28-22(29-25(34)18-5-6-18)12-21(16)20-10-23(30-24(33)11-20)32-9-8-31(15-17(32)2)26(35)19-4-3-7-27-14-19/h3-4,7,10-14,17-18H,5-6,8-9,15H2,1-2H3,(H,30,33)(H,28,29,34)/t17-/m0/s1
InChIKeyIMKLIOBBBFPYIQ-KRWDZBQOSA-N
MW472.55 g/mol
LogP2.84
Rot. Bonds5

About N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 176837568) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID176837568
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCN(C(=O)c3cccnc3)C[C@@H]2C)[nH]c(=O)c1
InChIInChI=1S/C26H28N6O3/c1-16-13-28-22(29-25(34)18-5-6-18)12-21(16)20-10-23(30-24(33)11-20)32-9-8-31(15-17(32)2)26(35)19-4-3-7-27-14-19/h3-4,7,10-14,17-18H,5-6,8-9,15H2,1-2H3,(H,30,33)(H,28,29,34)/t17-/m0/s1
InChIKeyIMKLIOBBBFPYIQ-KRWDZBQOSA-N
XLogP2.84
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 176837568) is N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cnc(NC(=O)C2CC2)cc1-c1cc(N2CCN(C(=O)c3cccnc3)C[C@@H]2C)[nH]c(=O)c1.
What is the InChIKey of N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IMKLIOBBBFPYIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16-13-28-22(29-25(34)18-5-6-18)12-21(16)20-10-23(30-24(33)11-20)32-9-8-31(15-17(32)2)26(35)19-4-3-7-27-14-19/h3-4,7,10-14,17-18H,5-6,8-9,15H2,1-2H3,(H,30,33)(H,28,29,34)/t17-/m0/s1.
What are the key properties of N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[2-[(2S)-2-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-6-oxo-1H-pyridin-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 176837568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).