N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H21N5O3 — CID 118036962

IUPACN-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1CCOCC1
InChIInChI=1S/C21H21N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-4,10,12-14H,1-2,5-9H2,(H,23,25,28)
InChIKeyGURMECOKUZULQS-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.04
Rot. Bonds3

About N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036962) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036962
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1CCOCC1
InChIInChI=1S/C21H21N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-4,10,12-14H,1-2,5-9H2,(H,23,25,28)
InChIKeyGURMECOKUZULQS-UHFFFAOYSA-N
XLogP3.04
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036962) is N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1CCOCC1.
What is the InChIKey of N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is GURMECOKUZULQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-4,10,12-14H,1-2,5-9H2,(H,23,25,28).
What are the key properties of N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(oxan-4-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).