4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide

C21H26N6O — CID 123468186

IUPAC4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1c[nH]c2ncnc(N3CCC(C(=O)Nc4ccccc4)(N(C)C)CC3)c12
InChIInChI=1S/C21H26N6O/c1-15-13-22-18-17(15)19(24-14-23-18)27-11-9-21(10-12-27,26(2)3)20(28)25-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)(H,22,23,24)
InChIKeyUWPAPMQSQILQBS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.81
Rot. Bonds4

About 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide

4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 123468186) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID123468186
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1c[nH]c2ncnc(N3CCC(C(=O)Nc4ccccc4)(N(C)C)CC3)c12
InChIInChI=1S/C21H26N6O/c1-15-13-22-18-17(15)19(24-14-23-18)27-11-9-21(10-12-27,26(2)3)20(28)25-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)(H,22,23,24)
InChIKeyUWPAPMQSQILQBS-UHFFFAOYSA-N
XLogP2.81
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 141207495
4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127047270
propan-2-yl 3-[[4-[(dimethylamino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189160
[3-[[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 118091269
4-(dimethylamino)-N-(2-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127047397
3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
CID 69186475
[3-[[4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 127047267
4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127045879
4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid
CID 118425805
3-fluoro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(1H-pyrazol-4-yl)azetidine-3-carboxamide
CID 172895443
N-[3-(4-fluorophenoxy)phenyl]-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 90832560
[3-[[2,2-dimethyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 118721534

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide (CID 123468186) is 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide is Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4ccccc4)(N(C)C)CC3)c12.
What is the InChIKey of 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is UWPAPMQSQILQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-13-22-18-17(15)19(24-14-23-18)27-11-9-21(10-12-27,26(2)3)20(28)25-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)(H,22,23,24).
What are the key properties of 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide?
4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 123468186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).