N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide

C20H24ClN5O2 — CID 11475123

IUPACN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H24ClN5O2/c1-26(2)15-8-5-13(6-9-15)19(27)24-16-4-3-11-22-18(16)20(28)25-17-10-7-14(21)12-23-17/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyZHNVNTOKEUIJCB-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.44
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide (PubChem CID 11475123) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
PubChem CID11475123
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H24ClN5O2/c1-26(2)15-8-5-13(6-9-15)19(27)24-16-4-3-11-22-18(16)20(28)25-17-10-7-14(21)12-23-17/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyZHNVNTOKEUIJCB-UHFFFAOYSA-N
XLogP3.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 58772723
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;dihydrochloride
CID 23062731
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-2-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 21072729
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(5-chloro-2-pyridinyl)-3-[[4-(methylamino)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;trihydrochloride
CID 23088716
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
CID 173199600
N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
CID 11620252
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
CID 21072732
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
3-[[4-[acetyl(propan-2-yl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 23062669
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide (CID 11475123) is N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide is CN(C)C1CCC(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The InChIKey is ZHNVNTOKEUIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-26(2)15-8-5-13(6-9-15)19(27)24-16-4-3-11-22-18(16)20(28)25-17-10-7-14(21)12-23-17/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,24,27)(H,23,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 11475123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).