4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide

C17H21N5O — CID 110253776

IUPAC4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(Cc3cccnc3)C2)ncc1C(N)=O
InChIInChI=1S/C17H21N5O/c1-12-15(16(18)23)9-20-17(21-12)14-5-3-7-22(11-14)10-13-4-2-6-19-8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,18,23)
InChIKeyRFWWNHNFQWMUAI-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.66
Rot. Bonds4

About 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide

4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 110253776) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID110253776
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(Cc3cccnc3)C2)ncc1C(N)=O
InChIInChI=1S/C17H21N5O/c1-12-15(16(18)23)9-20-17(21-12)14-5-3-7-22(11-14)10-13-4-2-6-19-8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,18,23)
InChIKeyRFWWNHNFQWMUAI-UHFFFAOYSA-N
XLogP1.66
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110253222
N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084736
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 110088774
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92636450
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639388
[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639352
2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241424
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248020
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 110253776) is 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCCN(Cc3cccnc3)C2)ncc1C(N)=O.
What is the InChIKey of 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is RFWWNHNFQWMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-15(16(18)23)9-20-17(21-12)14-5-3-7-22(11-14)10-13-4-2-6-19-8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,18,23).
What are the key properties of 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110253776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).