N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide

C27H29N5O — CID 110218750

IUPACN-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCNc1cc(C(Cc2c[nH]c3ccccc23)NC(=O)Cc2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C27H29N5O/c1-17-6-5-7-18(12-17)13-26(33)30-23(14-20-16-29-22-9-4-3-8-21(20)22)24-15-25(28-2)32-27(31-24)19-10-11-19/h3-9,12,15-16,19,23,29H,10-11,13-14H2,1-2H3,(H,30,33)(H,28,31,32)
InChIKeyCMOOGOCXKFPQJD-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.83
Rot. Bonds8

About N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide

N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 110218750) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID110218750
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC NameN-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCNc1cc(C(Cc2c[nH]c3ccccc23)NC(=O)Cc2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C27H29N5O/c1-17-6-5-7-18(12-17)13-26(33)30-23(14-20-16-29-22-9-4-3-8-21(20)22)24-15-25(28-2)32-27(31-24)19-10-11-19/h3-9,12,15-16,19,23,29H,10-11,13-14H2,1-2H3,(H,30,33)(H,28,31,32)
InChIKeyCMOOGOCXKFPQJD-UHFFFAOYSA-N
XLogP4.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide
CID 124950674
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]-2-methoxyacetamide
CID 92610313
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-[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]-4-methoxycyclohexane-1-carboxamide
CID 98065894
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-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 110218729
N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110218737

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide (CID 110218750) is N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide is CNc1cc(C(Cc2c[nH]c3ccccc23)NC(=O)Cc2cccc(C)c2)nc(C2CC2)n1.
What is the InChIKey of N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is CMOOGOCXKFPQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-17-6-5-7-18(12-17)13-26(33)30-23(14-20-16-29-22-9-4-3-8-21(20)22)24-15-25(28-2)32-27(31-24)19-10-11-19/h3-9,12,15-16,19,23,29H,10-11,13-14H2,1-2H3,(H,30,33)(H,28,31,32).
What are the key properties of N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide?
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 110218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).