N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide

C24H25N3O3S — CID 42247022

IUPACN-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
SMILESCO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-16-20(14-26-23(28)21-9-6-12-31-21)19-10-11-27(15-18(19)13-25-16)24(29)22(30-2)17-7-4-3-5-8-17/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyNIDAOQYUCVOKRG-QFIPXVFZSA-N
MW435.55 g/mol
LogP3.65
Rot. Bonds6

About N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide

N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 42247022) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID42247022
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
SMILESCO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-16-20(14-26-23(28)21-9-6-12-31-21)19-10-11-27(15-18(19)13-25-16)24(29)22(30-2)17-7-4-3-5-8-17/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyNIDAOQYUCVOKRG-QFIPXVFZSA-N
XLogP3.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56667019
Thiophene-2-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228507
methyl 3-{[6-methyl-5-({[(2E)-3-(2-thienyl)-2-propenoyl]amino}methyl)-3,4-dihydro-2,7-naphthyridin-2(1H)-yl]carbonyl}benzoate
CID 42360804
methyl 3-[6-methyl-5-[(thiophene-3-carbonylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzoate
CID 42421315
(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 45166586
2-({[1-(4,5,6,7-Tetrahydro-1-benzothien-3-ylcarbonyl)-3-piperidinyl]oxy}methyl)pyridine
CID 70730114
Methyl 4-({[5-(thiophen-3-yl)pyridin-3-yl]methyl}carbamoyl)benzoate
CID 76151060
Methyl 4-({[2-(thiophen-3-yl)pyridin-4-yl]methyl}carbamoyl)benzoate
CID 91625625
Methyl 4-(((2-(thiophen-2-yl)pyridin-3-yl)methyl)carbamoyl)benzoate
CID 91625756
Methyl 4-({[5-(thiophen-2-yl)pyridin-3-yl]methyl}carbamoyl)benzoate
CID 91630601
1,5-anhydro-2,4-dideoxy-2-{[(4-ethyl-5-methyl-3-thienyl)carbonyl]amino}-3-O-(pyridin-2-ylmethyl)-D-threo-pentitol
CID 91784055
N-({7-[4-(4-fluorophenyl)-4-oxobutanoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-3-methyl-2-thiophenecarboxamide
CID 26351824

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide (CID 42247022) is N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide is CO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cccs2)C1)c1ccccc1.
What is the InChIKey of N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NIDAOQYUCVOKRG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-20(14-26-23(28)21-9-6-12-31-21)19-10-11-27(15-18(19)13-25-16)24(29)22(30-2)17-7-4-3-5-8-17/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42247022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).