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

C30H23N3O3 — CID 45483564

IUPACN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide
SMILESCc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H23N3O3/c1-19-7-6-14-31-29(19)33-18-25-27(36-26-11-5-4-10-24(26)28(25)34)16-23(33)17-32-30(35)22-13-12-20-8-2-3-9-21(20)15-22/h2-16,18,27H,17H2,1H3,(H,32,35)/t27-/m0/s1
InChIKeyDYLFMKZZNBXIEO-MHZLTWQESA-N
MW473.53 g/mol
LogP5.20
Rot. Bonds4

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

N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 45483564) has the molecular formula C30H23N3O3 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID45483564
Molecular FormulaC30H23N3O3
Molecular Weight473.53 g/mol
Exact Mass473.17
IUPAC NameN-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide
SMILESCc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H23N3O3/c1-19-7-6-14-31-29(19)33-18-25-27(36-26-11-5-4-10-24(26)28(25)34)16-23(33)17-32-30(35)22-13-12-20-8-2-3-9-21(20)15-22/h2-16,18,27H,17H2,1H3,(H,32,35)/t27-/m0/s1
InChIKeyDYLFMKZZNBXIEO-MHZLTWQESA-N
XLogP5.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]naphthalene-2-carboxamide?
The IUPAC name of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide (CID 45483564) is N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-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]naphthalene-2-carboxamide?
The canonical SMILES for N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide is Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is DYLFMKZZNBXIEO-MHZLTWQESA-N. The full InChI is InChI=1S/C30H23N3O3/c1-19-7-6-14-31-29(19)33-18-25-27(36-26-11-5-4-10-24(26)28(25)34)16-23(33)17-32-30(35)22-13-12-20-8-2-3-9-21(20)15-22/h2-16,18,27H,17H2,1H3,(H,32,35)/t27-/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]naphthalene-2-carboxamide?
N-[[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-4aH-chromeno[3,2-c]pyridin-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 5.20, 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]naphthalene-2-carboxamide is sourced from PubChem (CID 45483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).