N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide

C17H18N4O3 — CID 131962368

IUPACN-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2ncccc2Oc2ccccc2)C1
InChIInChI=1S/C17H18N4O3/c18-17(23)21-10-8-12(11-21)20-16(22)15-14(7-4-9-19-15)24-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H2,18,23)(H,20,22)
InChIKeyDTJBAJZAHYFYBX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.76
Rot. Bonds4

About N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide

N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide (PubChem CID 131962368) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide
PubChem CID131962368
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2ncccc2Oc2ccccc2)C1
InChIInChI=1S/C17H18N4O3/c18-17(23)21-10-8-12(11-21)20-16(22)15-14(7-4-9-19-15)24-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H2,18,23)(H,20,22)
InChIKeyDTJBAJZAHYFYBX-UHFFFAOYSA-N
XLogP1.76
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
N-[2-[3-(carbamoylamino)pyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 154858868
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
(3-phenoxy-2-pyridinyl)-phenylmethanone
CID 173425503
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(2-phenoxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326316
3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 75369663
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide?
The IUPAC name of N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide (CID 131962368) is N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide is NC(=O)N1CCC(NC(=O)c2ncccc2Oc2ccccc2)C1.
What is the InChIKey of N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide?
The InChIKey is DTJBAJZAHYFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-17(23)21-10-8-12(11-21)20-16(22)15-14(7-4-9-19-15)24-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H2,18,23)(H,20,22).
What are the key properties of N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide?
N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 131962368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).