N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H30N6O5 — CID 147442362

IUPACN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCCc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COC[C@H]4C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H30N6O5/c1-17-15-37-16-24(34)32(17)13-20-9-19-5-3-7-31(25(19)29-22(20)14-33)26(35)30-23-10-18(6-4-8-36-2)21(11-27)12-28-23/h9-10,12,14,17H,3-8,13,15-16H2,1-2H3,(H,28,30,35)/t17-/m1/s1
InChIKeyDWLWAIFSGQCGMA-QGZVFWFLSA-N
MW506.56 g/mol
LogP2.47
Rot. Bonds8

About N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 147442362) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID147442362
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC NameN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCCc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COC[C@H]4C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H30N6O5/c1-17-15-37-16-24(34)32(17)13-20-9-19-5-3-7-31(25(19)29-22(20)14-33)26(35)30-23-10-18(6-4-8-36-2)21(11-27)12-28-23/h9-10,12,14,17H,3-8,13,15-16H2,1-2H3,(H,28,30,35)/t17-/m1/s1
InChIKeyDWLWAIFSGQCGMA-QGZVFWFLSA-N
XLogP2.47
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 147442362) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCCc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COC[C@H]4C)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DWLWAIFSGQCGMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-17-15-37-16-24(34)32(17)13-20-9-19-5-3-7-31(25(19)29-22(20)14-33)26(35)30-23-10-18(6-4-8-36-2)21(11-27)12-28-23/h9-10,12,14,17H,3-8,13,15-16H2,1-2H3,(H,28,30,35)/t17-/m1/s1.
What are the key properties of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-5-oxomorpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 147442362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).