N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide

C24H26N4O2 — CID 70800442

IUPACN-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)20-10-11-22(26-16-20)27-21-7-4-13-28(14-12-21)24(30)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-11,15-16,21H,4,7,12-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyPLCQEHWMORFWEG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.70
Rot. Bonds4

About N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide

N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide (PubChem CID 70800442) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide
PubChem CID70800442
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)20-10-11-22(26-16-20)27-21-7-4-13-28(14-12-21)24(30)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-11,15-16,21H,4,7,12-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyPLCQEHWMORFWEG-UHFFFAOYSA-N
XLogP3.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133376286
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[4-[(1-chloroisoquinolin-3-yl)amino]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133307989
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide (CID 70800442) is N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide is CNC(=O)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is PLCQEHWMORFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-25-23(29)20-10-11-22(26-16-20)27-21-7-4-13-28(14-12-21)24(30)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-11,15-16,21H,4,7,12-14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide?
N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 70800442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).