N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C15H19N3O2 — CID 46997556

IUPACN-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccc[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-13(11-19)18(10-12-5-3-7-16-9-12)15(20)14-6-4-8-17-14/h3-9,13,17,19H,2,10-11H2,1H3
InChIKeyCPBGIIMJHIQDGA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.82
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 46997556) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID46997556
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccc[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-13(11-19)18(10-12-5-3-7-16-9-12)15(20)14-6-4-8-17-14/h3-9,13,17,19H,2,10-11H2,1H3
InChIKeyCPBGIIMJHIQDGA-UHFFFAOYSA-N
XLogP1.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 164637456
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196
N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46986681
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 164636404
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 166476038

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 46997556) is N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is CCC(CO)N(Cc1cccnc1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is CPBGIIMJHIQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-13(11-19)18(10-12-5-3-7-16-9-12)15(20)14-6-4-8-17-14/h3-9,13,17,19H,2,10-11H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46997556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).