N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide

C16H19N3O — CID 125171906

IUPACN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCc1cccnc1[C@@H](NC(=O)Cn1cccc1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12-5-4-8-17-15(12)16(13-6-7-13)18-14(20)11-19-9-2-3-10-19/h2-5,8-10,13,16H,6-7,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyUPJVMOLBQNLFSJ-INIZCTEOSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds5

About N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide

N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide (PubChem CID 125171906) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
PubChem CID125171906
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
SMILESCc1cccnc1[C@@H](NC(=O)Cn1cccc1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12-5-4-8-17-15(12)16(13-6-7-13)18-14(20)11-19-9-2-3-10-19/h2-5,8-10,13,16H,6-7,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyUPJVMOLBQNLFSJ-INIZCTEOSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
CID 125160409
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
CID 125163176
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 122569055
1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
CID 125164383
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
[cycloheptyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209201
N-[(4-ethylcyclohexyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 64776463

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide (CID 125171906) is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide is Cc1cccnc1[C@@H](NC(=O)Cn1cccc1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The InChIKey is UPJVMOLBQNLFSJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-4-8-17-15(12)16(13-6-7-13)18-14(20)11-19-9-2-3-10-19/h2-5,8-10,13,16H,6-7,11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 125171906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).