N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C15H16N4O — CID 3009464

IUPACN-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNCCCNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N4O/c16-6-3-7-17-15(20)13-8-11-10-4-1-2-5-12(10)19-14(11)9-18-13/h1-2,4-5,8-9,19H,3,6-7,16H2,(H,17,20)
InChIKeyCCOJIJBKMLAUTI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.79
Rot. Bonds4

About N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 3009464) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID3009464
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNCCCNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N4O/c16-6-3-7-17-15(20)13-8-11-10-4-1-2-5-12(10)19-14(11)9-18-13/h1-2,4-5,8-9,19H,3,6-7,16H2,(H,17,20)
InChIKeyCCOJIJBKMLAUTI-UHFFFAOYSA-N
XLogP1.79
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4964733
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
N-[4-[[(1S,2S,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]amino]butyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 44547436
methyl 5-oxo-5-[2-(9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]pentanoate
CID 71546314
methyl 3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 78593166
2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942145
propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 10467488
methyl (2S)-3-(1H-imidazol-5-yl)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 141093613

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 3009464) is N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is NCCCNC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is CCOJIJBKMLAUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-6-3-7-17-15(20)13-8-11-10-4-1-2-5-12(10)19-14(11)9-18-13/h1-2,4-5,8-9,19H,3,6-7,16H2,(H,17,20).
What are the key properties of N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 3009464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).