3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide

C12H14N4O — CID 110700772

IUPAC3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
SMILESCn1cccc1CCC(=O)Nc1ncccn1
InChIInChI=1S/C12H14N4O/c1-16-9-2-4-10(16)5-6-11(17)15-12-13-7-3-8-14-12/h2-4,7-9H,5-6H2,1H3,(H,13,14,15,17)
InChIKeyDQRZEQAXKIFYNB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.39
Rot. Bonds4

About 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide

3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 110700772) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID110700772
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
SMILESCn1cccc1CCC(=O)Nc1ncccn1
InChIInChI=1S/C12H14N4O/c1-16-9-2-4-10(16)5-6-11(17)15-12-13-7-3-8-14-12/h2-4,7-9H,5-6H2,1H3,(H,13,14,15,17)
InChIKeyDQRZEQAXKIFYNB-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700760
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700746
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
N-butyl-3-(1-methylpyrrol-2-yl)propanamide
CID 110700635
N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700740
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
methyl 4-oxo-4-(pyrimidin-2-ylamino)butanoate
CID 110756659
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide (CID 110700772) is 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide is Cn1cccc1CCC(=O)Nc1ncccn1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is DQRZEQAXKIFYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-2-4-10(16)5-6-11(17)15-12-13-7-3-8-14-12/h2-4,7-9H,5-6H2,1H3,(H,13,14,15,17).
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide?
3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 110700772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).