2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide

C21H21N5O2 — CID 55802649

IUPAC2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C21H21N5O2/c27-19(18-10-4-11-22-20(18)28-17-8-2-1-3-9-17)25-16-7-5-14-26(15-16)21-23-12-6-13-24-21/h1-4,6,8-13,16H,5,7,14-15H2,(H,25,27)
InChIKeyUVJFVEKPRAJFRE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.06
Rot. Bonds5

About 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide

2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 55802649) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
PubChem CID55802649
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C21H21N5O2/c27-19(18-10-4-11-22-20(18)28-17-8-2-1-3-9-17)25-16-7-5-14-26(15-16)21-23-12-6-13-24-21/h1-4,6,8-13,16H,5,7,14-15H2,(H,25,27)
InChIKeyUVJFVEKPRAJFRE-UHFFFAOYSA-N
XLogP3.06
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 138036782
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide (CID 55802649) is 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1cccnc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is UVJFVEKPRAJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19(18-10-4-11-22-20(18)28-17-8-2-1-3-9-17)25-16-7-5-14-26(15-16)21-23-12-6-13-24-21/h1-4,6,8-13,16H,5,7,14-15H2,(H,25,27).
What are the key properties of 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide?
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).