2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide

C18H24N6O — CID 95313062

IUPAC2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1
InChIInChI=1S/C18H24N6O/c1-14-5-2-3-12-24(14)16-13-15(6-9-19-16)17(25)20-10-11-23-18-21-7-4-8-22-18/h4,6-9,13-14H,2-3,5,10-12H2,1H3,(H,20,25)(H,21,22,23)/t14-/m1/s1
InChIKeyLAIQTPXPIINSMW-CQSZACIVSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds6

About 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide

2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 95313062) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID95313062
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1
InChIInChI=1S/C18H24N6O/c1-14-5-2-3-12-24(14)16-13-15(6-9-19-16)17(25)20-10-11-23-18-21-7-4-8-22-18/h4,6-9,13-14H,2-3,5,10-12H2,1H3,(H,20,25)(H,21,22,23)/t14-/m1/s1
InChIKeyLAIQTPXPIINSMW-CQSZACIVSA-N
XLogP2.09
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 95281237
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 94811507
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 99788894
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 62286079

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide (CID 95313062) is 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide is C[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is LAIQTPXPIINSMW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14-5-2-3-12-24(14)16-13-15(6-9-19-16)17(25)20-10-11-23-18-21-7-4-8-22-18/h4,6-9,13-14H,2-3,5,10-12H2,1H3,(H,20,25)(H,21,22,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide?
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 95313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).