1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C26H30N6O3 — CID 146586575

IUPAC1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2ncc(C(N)=O)c3[nH]c4cc(C5=CC(OC)NC=C5)ccc4c23)C1
InChIInChI=1S/C26H30N6O3/c1-3-28-26(34)17-5-4-10-32(14-17)25-22-18-7-6-15(16-8-9-29-21(12-16)35-2)11-20(18)31-23(22)19(13-30-25)24(27)33/h6-9,11-13,17,21,29,31H,3-5,10,14H2,1-2H3,(H2,27,33)(H,28,34)/t17-,21?/m0/s1
InChIKeyJTTIZMIHFJLTIS-PBVYKCSPSA-N
MW474.57 g/mol
LogP2.64
Rot. Bonds6

About 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 146586575) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID146586575
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2ncc(C(N)=O)c3[nH]c4cc(C5=CC(OC)NC=C5)ccc4c23)C1
InChIInChI=1S/C26H30N6O3/c1-3-28-26(34)17-5-4-10-32(14-17)25-22-18-7-6-15(16-8-9-29-21(12-16)35-2)11-20(18)31-23(22)19(13-30-25)24(27)33/h6-9,11-13,17,21,29,31H,3-5,10,14H2,1-2H3,(H2,27,33)(H,28,34)/t17-,21?/m0/s1
InChIKeyJTTIZMIHFJLTIS-PBVYKCSPSA-N
XLogP2.64
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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Related Compounds

(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608572
N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
CID 88937848
1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42636017
1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-7-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608562
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate
CID 158679002
N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 105367314
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 146586575) is 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is CCNC(=O)[C@H]1CCCN(c2ncc(C(N)=O)c3[nH]c4cc(C5=CC(OC)NC=C5)ccc4c23)C1.
What is the InChIKey of 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is JTTIZMIHFJLTIS-PBVYKCSPSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-3-28-26(34)17-5-4-10-32(14-17)25-22-18-7-6-15(16-8-9-29-21(12-16)35-2)11-20(18)31-23(22)19(13-30-25)24(27)33/h6-9,11-13,17,21,29,31H,3-5,10,14H2,1-2H3,(H2,27,33)(H,28,34)/t17-,21?/m0/s1.
What are the key properties of 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 146586575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).