1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

C17H21N5O2 — CID 122353078

IUPAC1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1=O
InChIInChI=1S/C17H21N5O2/c1-21-9-5-6-14(16(21)24)15(23)19-12-13-7-8-18-17(20-13)22-10-3-2-4-11-22/h5-9H,2-4,10-12H2,1H3,(H,19,23)
InChIKeyCNDNFUWHDIRDRH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.10
Rot. Bonds4

About 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 122353078) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID122353078
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1=O
InChIInChI=1S/C17H21N5O2/c1-21-9-5-6-14(16(21)24)15(23)19-12-13-7-8-18-17(20-13)22-10-3-2-4-11-22/h5-9H,2-4,10-12H2,1H3,(H,19,23)
InChIKeyCNDNFUWHDIRDRH-UHFFFAOYSA-N
XLogP1.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353084
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122356553
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 122353078) is 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CNDNFUWHDIRDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-9-5-6-14(16(21)24)15(23)19-12-13-7-8-18-17(20-13)22-10-3-2-4-11-22/h5-9H,2-4,10-12H2,1H3,(H,19,23).
What are the key properties of 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122353078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).