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

C26H29N7O5 — CID 134255896

IUPACN-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-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(N[C@@H]4CCOC4)c(C#N)cn2)CCC3)C1=O
InChIInChI=1S/C26H29N7O5/c1-37-22-4-7-32(25(22)35)13-17-9-16-3-2-6-33(24(16)30-21(17)14-34)26(36)31-23-10-20(18(11-27)12-28-23)29-19-5-8-38-15-19/h9-10,12,14,19,22H,2-8,13,15H2,1H3,(H2,28,29,31,36)/t19-,22-/m1/s1
InChIKeySZIHMIDPPNPYHZ-DENIHFKCSA-N
MW519.56 g/mol
LogP2.09
Rot. Bonds7

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

N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255896) has the molecular formula C26H29N7O5 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID134255896
Molecular FormulaC26H29N7O5
Molecular Weight519.56 g/mol
Exact Mass519.22
IUPAC NameN-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-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(N[C@@H]4CCOC4)c(C#N)cn2)CCC3)C1=O
InChIInChI=1S/C26H29N7O5/c1-37-22-4-7-32(25(22)35)13-17-9-16-3-2-6-33(24(16)30-21(17)14-34)26(36)31-23-10-20(18(11-27)12-28-23)29-19-5-8-38-15-19/h9-10,12,14,19,22H,2-8,13,15H2,1H3,(H2,28,29,31,36)/t19-,22-/m1/s1
InChIKeySZIHMIDPPNPYHZ-DENIHFKCSA-N
XLogP2.09
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]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-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255896) is N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-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-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-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(N[C@@H]4CCOC4)c(C#N)cn2)CCC3)C1=O.
What is the InChIKey of N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SZIHMIDPPNPYHZ-DENIHFKCSA-N. The full InChI is InChI=1S/C26H29N7O5/c1-37-22-4-7-32(25(22)35)13-17-9-16-3-2-6-33(24(16)30-21(17)14-34)26(36)31-23-10-20(18(11-27)12-28-23)29-19-5-8-38-15-19/h9-10,12,14,19,22H,2-8,13,15H2,1H3,(H2,28,29,31,36)/t19-,22-/m1/s1.
What are the key properties of N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 2.09, 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-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).