4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide

C30H34N6O3 — CID 70651692

IUPAC4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCc1c(NC(=O)N2CCC(C)CC2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12
InChIInChI=1S/C30H34N6O3/c1-18-8-10-36(11-9-18)30(38)34-24-5-3-4-21(19(24)2)23-17-32-28(29(31)37)27-26(23)22-7-6-20(16-25(22)33-27)35-12-14-39-15-13-35/h3-7,16-18,33H,8-15H2,1-2H3,(H2,31,37)(H,34,38)
InChIKeyHGDGPTVMJRIHKS-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.89
Rot. Bonds4

About 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide

4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 70651692) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID70651692
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCc1c(NC(=O)N2CCC(C)CC2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12
InChIInChI=1S/C30H34N6O3/c1-18-8-10-36(11-9-18)30(38)34-24-5-3-4-21(19(24)2)23-17-32-28(29(31)37)27-26(23)22-7-6-20(16-25(22)33-27)35-12-14-39-15-13-35/h3-7,16-18,33H,8-15H2,1-2H3,(H2,31,37)(H,34,38)
InChIKeyHGDGPTVMJRIHKS-UHFFFAOYSA-N
XLogP4.89
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 70651695
4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 70651677
ethyl 4-[3-[[4-(dimethylamino)benzoyl]amino]-2-fluorophenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxylate
CID 67994786
4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 160670723
7-(2-methoxyethoxy)-4-[2-methyl-3-(quinazolin-4-ylamino)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 54766568
4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 159042380
7-amino-4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 67994825
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
2-(6-ethyl-3-pyridinyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604021
4-[3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]-2-methylphenyl]-7-(oxolan-3-yloxy)-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 159045093
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide (CID 70651692) is 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide is Cc1c(NC(=O)N2CCC(C)CC2)cccc1-c1cnc(C(N)=O)c2[nH]c3cc(N4CCOCC4)ccc3c12.
What is the InChIKey of 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is HGDGPTVMJRIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-18-8-10-36(11-9-18)30(38)34-24-5-3-4-21(19(24)2)23-17-32-28(29(31)37)27-26(23)22-7-6-20(16-25(22)33-27)35-12-14-39-15-13-35/h3-7,16-18,33H,8-15H2,1-2H3,(H2,31,37)(H,34,38).
What are the key properties of 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide?
4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 70651692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).