N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide

C20H22N6O — CID 175871048

IUPACN-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1nc2c(cc1C(=O)NC1CC(N)C1)[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H22N6O/c1-10(2)23-19-15(20(27)24-13-6-12(22)7-13)8-17-18(26-19)14-4-3-11(9-21)5-16(14)25-17/h3-5,8,10,12-13,25H,6-7,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQGRQXJZVFLDQQF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.63
Rot. Bonds4

About N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide

N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 175871048) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID175871048
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1nc2c(cc1C(=O)NC1CC(N)C1)[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H22N6O/c1-10(2)23-19-15(20(27)24-13-6-12(22)7-13)8-17-18(26-19)14-4-3-11(9-21)5-16(14)25-17/h3-5,8,10,12-13,25H,6-7,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQGRQXJZVFLDQQF-UHFFFAOYSA-N
XLogP2.63
TPSA119.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide with MolForge

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Related Compounds

7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166707759
7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
CID 175871047
7-cyano-N-[(3S)-3-cyclopropyl-3-hydroxypropyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693647
7-cyano-N-[(1,1-dihydroxythiolan-3-yl)methyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693839
7-cyano-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693625
7-cyano-4-(1-cyclopropylethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693642
N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
CID 155782052
7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070090
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
CID 107916614
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[3-(2-oxopropyl)cyclobutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 162221154
7-cyano-4-[(3,3-difluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070099

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide (CID 175871048) is N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide is CC(C)Nc1nc2c(cc1C(=O)NC1CC(N)C1)[nH]c1cc(C#N)ccc12.
What is the InChIKey of N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is QGRQXJZVFLDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-10(2)23-19-15(20(27)24-13-6-12(22)7-13)8-17-18(26-19)14-4-3-11(9-21)5-16(14)25-17/h3-5,8,10,12-13,25H,6-7,22H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 175871048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).