N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide

C24H23N5O — CID 170158719

IUPACN-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide
SMILESCc1cc(-c2ncccn2)cnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1
InChIInChI=1S/C24H23N5O/c1-14-5-3-6-17-12-19(28-20(14)17)24(30)29-22(16-7-8-16)21-15(2)11-18(13-27-21)23-25-9-4-10-26-23/h3-6,9-13,16,22,28H,7-8H2,1-2H3,(H,29,30)
InChIKeyUIIZCYMHUNXNLE-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.52
Rot. Bonds5

About N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide

N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide (PubChem CID 170158719) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide
PubChem CID170158719
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide
SMILESCc1cc(-c2ncccn2)cnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1
InChIInChI=1S/C24H23N5O/c1-14-5-3-6-17-12-19(28-20(14)17)24(30)29-22(16-7-8-16)21-15(2)11-18(13-27-21)23-25-9-4-10-26-23/h3-6,9-13,16,22,28H,7-8H2,1-2H3,(H,29,30)
InChIKeyUIIZCYMHUNXNLE-UHFFFAOYSA-N
XLogP4.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(7-methyl-1H-indole-2-carbonyl)amino]butanedioic acid
CID 170158987
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
7-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556339
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
N-cyclopropyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53003807
2-methyl-3-[(7-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834914
7-chloro-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 108804025
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 119061888
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide (CID 170158719) is N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide is Cc1cc(-c2ncccn2)cnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide?
The InChIKey is UIIZCYMHUNXNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-14-5-3-6-17-12-19(28-20(14)17)24(30)29-22(16-7-8-16)21-15(2)11-18(13-27-21)23-25-9-4-10-26-23/h3-6,9-13,16,22,28H,7-8H2,1-2H3,(H,29,30).
What are the key properties of N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide?
N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-methyl-5-pyrimidin-2-yl-2-pyridinyl)methyl]-7-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 170158719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).