N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H28N6O5 — CID 163445321

IUPACN-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCO[C@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(CC4COC4)c(C#N)cn2)CCC3)C1=O
InChIInChI=1S/C26H28N6O5/c1-36-22-4-6-31(25(22)34)12-19-8-17-3-2-5-32(24(17)29-21(19)13-33)26(35)30-23-9-18(7-16-14-37-15-16)20(10-27)11-28-23/h8-9,11,13,16,22H,2-7,12,14-15H2,1H3,(H,28,30,35)/t22-/m0/s1
InChIKeyCJKNLGLPQFJCCI-QFIPXVFZSA-N
MW504.55 g/mol
LogP2.08
Rot. Bonds7

About N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163445321) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID163445321
Molecular FormulaC26H28N6O5
Molecular Weight504.55 g/mol
Exact Mass504.21
IUPAC NameN-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCO[C@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(CC4COC4)c(C#N)cn2)CCC3)C1=O
InChIInChI=1S/C26H28N6O5/c1-36-22-4-6-31(25(22)34)12-19-8-17-3-2-5-32(24(17)29-21(19)13-33)26(35)30-23-9-18(7-16-14-37-15-16)20(10-27)11-28-23/h8-9,11,13,16,22H,2-7,12,14-15H2,1H3,(H,28,30,35)/t22-/m0/s1
InChIKeyCJKNLGLPQFJCCI-QFIPXVFZSA-N
XLogP2.08
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163445321) is N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(CC4COC4)c(C#N)cn2)CCC3)C1=O.
What is the InChIKey of N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is CJKNLGLPQFJCCI-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-36-22-4-6-31(25(22)34)12-19-8-17-3-2-5-32(24(17)29-21(19)13-33)26(35)30-23-9-18(7-16-14-37-15-16)20(10-27)11-28-23/h8-9,11,13,16,22H,2-7,12,14-15H2,1H3,(H,28,30,35)/t22-/m0/s1.
What are the key properties of N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(oxetan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-[[(3S)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163445321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).