N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide

C14H22N4O — CID 125137746

IUPACN-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cncnc2)C1
InChIInChI=1S/C14H22N4O/c1-11(2)18-5-3-4-12(9-18)6-17-14(19)13-7-15-10-16-8-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNFDMLPZDBOPRSK-GFCCVEGCSA-N
MW262.36 g/mol
LogP1.33
Rot. Bonds4

About N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide

N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 125137746) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID125137746
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cncnc2)C1
InChIInChI=1S/C14H22N4O/c1-11(2)18-5-3-4-12(9-18)6-17-14(19)13-7-15-10-16-8-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNFDMLPZDBOPRSK-GFCCVEGCSA-N
XLogP1.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
6-(dimethylamino)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591154
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 125137746) is N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide is CC(C)N1CCC[C@H](CNC(=O)c2cncnc2)C1.
What is the InChIKey of N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is NFDMLPZDBOPRSK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)18-5-3-4-12(9-18)6-17-14(19)13-7-15-10-16-8-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide?
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125137746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).