N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide

C25H26N6O — CID 124950674

IUPACN-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESCNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C25H26N6O/c1-26-23-13-22(30-25(31-23)17-8-9-17)21(29-24(32)11-16-5-4-10-27-14-16)12-18-15-28-20-7-3-2-6-19(18)20/h2-7,10,13-15,17,21,28H,8-9,11-12H2,1H3,(H,29,32)(H,26,30,31)/t21-/m0/s1
InChIKeyDDGOSCBTRQCNHX-NRFANRHFSA-N
MW426.52 g/mol
LogP3.91
Rot. Bonds8

About N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide

N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide (PubChem CID 124950674) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide
PubChem CID124950674
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESCNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C25H26N6O/c1-26-23-13-22(30-25(31-23)17-8-9-17)21(29-24(32)11-16-5-4-10-27-14-16)12-18-15-28-20-7-3-2-6-19(18)20/h2-7,10,13-15,17,21,28H,8-9,11-12H2,1H3,(H,29,32)(H,26,30,31)/t21-/m0/s1
InChIKeyDDGOSCBTRQCNHX-NRFANRHFSA-N
XLogP3.91
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 92560753
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110218750
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
CID 92610313
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 92553189
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 98065894
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 110218729
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110218767
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92605424
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 124954349
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 92564350
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 40637586
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 40637587

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide (CID 124950674) is N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide is CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)nc(C2CC2)n1.
What is the InChIKey of N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is DDGOSCBTRQCNHX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N6O/c1-26-23-13-22(30-25(31-23)17-8-9-17)21(29-24(32)11-16-5-4-10-27-14-16)12-18-15-28-20-7-3-2-6-19(18)20/h2-7,10,13-15,17,21,28H,8-9,11-12H2,1H3,(H,29,32)(H,26,30,31)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide?
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 426.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 124950674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).