N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide

C16H20N6O — CID 124975028

IUPACN-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)ncn1
InChIInChI=1S/C16H20N6O/c1-17-15(23)14-9-13(20-11-21-14)8-12-4-2-7-22(10-12)16-18-5-3-6-19-16/h3,5-6,9,11-12H,2,4,7-8,10H2,1H3,(H,17,23)/t12-/m0/s1
InChIKeyKUZIFGYHRLDDTE-LBPRGKRZSA-N
MW312.38 g/mol
LogP1.09
Rot. Bonds4

About N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide

N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124975028) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124975028
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)ncn1
InChIInChI=1S/C16H20N6O/c1-17-15(23)14-9-13(20-11-21-14)8-12-4-2-7-22(10-12)16-18-5-3-6-19-16/h3,5-6,9,11-12H,2,4,7-8,10H2,1H3,(H,17,23)/t12-/m0/s1
InChIKeyKUZIFGYHRLDDTE-LBPRGKRZSA-N
XLogP1.09
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520
N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125001293
6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124996307
6-[[(4R)-azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124641367
N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110258979
6-[[(4S)-1-[2-[(2-fluorophenyl)methyl]pyridine-4-carbonyl]azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124993100
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069
6-[[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-N,2-dimethylpyrimidine-4-carboxamide
CID 125018988
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124975028) is N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)ncn1.
What is the InChIKey of N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is KUZIFGYHRLDDTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N6O/c1-17-15(23)14-9-13(20-11-21-14)8-12-4-2-7-22(10-12)16-18-5-3-6-19-16/h3,5-6,9,11-12H,2,4,7-8,10H2,1H3,(H,17,23)/t12-/m0/s1.
What are the key properties of N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124975028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).