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

C26H32N6O3S — CID 165109195

IUPACN-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN1CCCC1=O)CCCN2C(=O)Nc1cc(C[C@H](C)CSC)c(C#N)cn1
InChIInChI=1S/C26H32N6O3S/c1-17(16-36-3)10-19-12-22(28-14-21(19)13-27)29-26(34)32-9-4-6-18-11-20(25(35-2)30-24(18)32)15-31-8-5-7-23(31)33/h11-12,14,17H,4-10,15-16H2,1-3H3,(H,28,29,34)/t17-/m0/s1
InChIKeyZQXQWVJGXJTQSI-KRWDZBQOSA-N
MW508.65 g/mol
LogP4.01
Rot. Bonds8

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

N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 165109195) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID165109195
Molecular FormulaC26H32N6O3S
Molecular Weight508.65 g/mol
Exact Mass508.23
IUPAC NameN-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN1CCCC1=O)CCCN2C(=O)Nc1cc(C[C@H](C)CSC)c(C#N)cn1
InChIInChI=1S/C26H32N6O3S/c1-17(16-36-3)10-19-12-22(28-14-21(19)13-27)29-26(34)32-9-4-6-18-11-20(25(35-2)30-24(18)32)15-31-8-5-7-23(31)33/h11-12,14,17H,4-10,15-16H2,1-3H3,(H,28,29,34)/t17-/m0/s1
InChIKeyZQXQWVJGXJTQSI-KRWDZBQOSA-N
XLogP4.01
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(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-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 165109195) is N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1nc2c(cc1CN1CCCC1=O)CCCN2C(=O)Nc1cc(C[C@H](C)CSC)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ZQXQWVJGXJTQSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-17(16-36-3)10-19-12-22(28-14-21(19)13-27)29-26(34)32-9-4-6-18-11-20(25(35-2)30-24(18)32)15-31-8-5-7-23(31)33/h11-12,14,17H,4-10,15-16H2,1-3H3,(H,28,29,34)/t17-/m0/s1.
What are the key properties of N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 508.65 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[(2S)-2-methyl-3-methylsulfanylpropyl]-2-pyridinyl]-7-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 165109195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).