N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C28H33N7O5 — CID 134255813

IUPACN-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(N[C@H]3CCOC3)c(C#N)cn1)CCC2)C(=O)C1CCOCC1
InChIInChI=1S/C28H33N7O5/c1-34(27(37)18-4-8-39-9-5-18)15-20-11-19-3-2-7-35(26(19)32-24(20)16-36)28(38)33-25-12-23(21(13-29)14-30-25)31-22-6-10-40-17-22/h11-12,14,16,18,22H,2-10,15,17H2,1H3,(H2,30,31,33,38)/t22-/m0/s1
InChIKeyLHYFJOQXFQWPAU-QFIPXVFZSA-N
MW547.62 g/mol
LogP2.73
Rot. Bonds7

About N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255813) has the molecular formula C28H33N7O5 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID134255813
Molecular FormulaC28H33N7O5
Molecular Weight547.62 g/mol
Exact Mass547.25
IUPAC NameN-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(N[C@H]3CCOC3)c(C#N)cn1)CCC2)C(=O)C1CCOCC1
InChIInChI=1S/C28H33N7O5/c1-34(27(37)18-4-8-39-9-5-18)15-20-11-19-3-2-7-35(26(19)32-24(20)16-36)28(38)33-25-12-23(21(13-29)14-30-25)31-22-6-10-40-17-22/h11-12,14,16,18,22H,2-10,15,17H2,1H3,(H2,30,31,33,38)/t22-/m0/s1
InChIKeyLHYFJOQXFQWPAU-QFIPXVFZSA-N
XLogP2.73
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255813) is N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(N[C@H]3CCOC3)c(C#N)cn1)CCC2)C(=O)C1CCOCC1.
What is the InChIKey of N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LHYFJOQXFQWPAU-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H33N7O5/c1-34(27(37)18-4-8-39-9-5-18)15-20-11-19-3-2-7-35(26(19)32-24(20)16-36)28(38)33-25-12-23(21(13-29)14-30-25)31-22-6-10-40-17-22/h11-12,14,16,18,22H,2-10,15,17H2,1H3,(H2,30,31,33,38)/t22-/m0/s1.
What are the key properties of N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[methyl(oxane-4-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).