5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide

C12H15N3O2 — CID 164519355

IUPAC5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
SMILESC[C@H](NC(=O)c1ccc(C(N)=O)nc1)C1CC1
InChIInChI=1S/C12H15N3O2/c1-7(8-2-3-8)15-12(17)9-4-5-10(11(13)16)14-6-9/h4-8H,2-3H2,1H3,(H2,13,16)(H,15,17)/t7-/m0/s1
InChIKeyOPYWSNVILQJIQF-ZETCQYMHSA-N
MW233.27 g/mol
LogP0.71
Rot. Bonds4

About 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide

5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide (PubChem CID 164519355) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
PubChem CID164519355
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
SMILESC[C@H](NC(=O)c1ccc(C(N)=O)nc1)C1CC1
InChIInChI=1S/C12H15N3O2/c1-7(8-2-3-8)15-12(17)9-4-5-10(11(13)16)14-6-9/h4-8H,2-3H2,1H3,(H2,13,16)(H,15,17)/t7-/m0/s1
InChIKeyOPYWSNVILQJIQF-ZETCQYMHSA-N
XLogP0.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115769021
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6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
CID 131176905
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
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CID 77005031

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide (CID 164519355) is 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide is C[C@H](NC(=O)c1ccc(C(N)=O)nc1)C1CC1.
What is the InChIKey of 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide?
The InChIKey is OPYWSNVILQJIQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(8-2-3-8)15-12(17)9-4-5-10(11(13)16)14-6-9/h4-8H,2-3H2,1H3,(H2,13,16)(H,15,17)/t7-/m0/s1.
What are the key properties of 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide?
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 164519355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).