N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide

C31H25N3O3 — CID 45483575

IUPACN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide
SMILESCc1ccc2ccc(C(=O)NCC3=C[C@@H]4Oc5ccccc5C(=O)C4=CN3c3ncccc3C)cc2c1
InChIInChI=1S/C31H25N3O3/c1-19-9-10-21-11-12-22(15-23(21)14-19)31(36)33-17-24-16-28-26(18-34(24)30-20(2)6-5-13-32-30)29(35)25-7-3-4-8-27(25)37-28/h3-16,18,28H,17H2,1-2H3,(H,33,36)/t28-/m0/s1
InChIKeyYABGCQAEVOINEP-NDEPHWFRSA-N
MW487.56 g/mol
LogP5.51
Rot. Bonds4

About N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide

N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide (PubChem CID 45483575) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide
PubChem CID45483575
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC NameN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide
SMILESCc1ccc2ccc(C(=O)NCC3=C[C@@H]4Oc5ccccc5C(=O)C4=CN3c3ncccc3C)cc2c1
InChIInChI=1S/C31H25N3O3/c1-19-9-10-21-11-12-22(15-23(21)14-19)31(36)33-17-24-16-28-26(18-34(24)30-20(2)6-5-13-32-30)29(35)25-7-3-4-8-27(25)37-28/h3-16,18,28H,17H2,1-2H3,(H,33,36)/t28-/m0/s1
InChIKeyYABGCQAEVOINEP-NDEPHWFRSA-N
XLogP5.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Risimtinib
CID 145351764
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
n-Isopropyl-1-[3-(3-ethoxyphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274114
4-bromo-1-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
CID 15232471
4-bromo-1-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]naphthalene-2-carboxamide
CID 15232481
2-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 44205288
3-[[1-[5-(Naphthalene-2-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56839306
N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351739

Frequently Asked Questions

What is the IUPAC name of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide (CID 45483575) is N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide is Cc1ccc2ccc(C(=O)NCC3=C[C@@H]4Oc5ccccc5C(=O)C4=CN3c3ncccc3C)cc2c1.
What is the InChIKey of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide?
The InChIKey is YABGCQAEVOINEP-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H25N3O3/c1-19-9-10-21-11-12-22(15-23(21)14-19)31(36)33-17-24-16-28-26(18-34(24)30-20(2)6-5-13-32-30)29(35)25-7-3-4-8-27(25)37-28/h3-16,18,28H,17H2,1-2H3,(H,33,36)/t28-/m0/s1.
What are the key properties of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide?
N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]-7-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 45483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).