(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide

C18H24N6O — CID 95619721

IUPAC(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCNc1ncccn1)[C@@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C18H24N6O/c25-17(20-10-11-23-18-21-8-4-9-22-18)16-6-1-2-12-24(16)14-15-5-3-7-19-13-15/h3-5,7-9,13,16H,1-2,6,10-12,14H2,(H,20,25)(H,21,22,23)/t16-/m0/s1
InChIKeyBGYMCHVGBLIVMI-INIZCTEOSA-N
MW340.43 g/mol
LogP1.45
Rot. Bonds7

About (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide

(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide (PubChem CID 95619721) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
PubChem CID95619721
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCNc1ncccn1)[C@@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C18H24N6O/c25-17(20-10-11-23-18-21-8-4-9-22-18)16-6-1-2-12-24(16)14-15-5-3-7-19-13-15/h3-5,7-9,13,16H,1-2,6,10-12,14H2,(H,20,25)(H,21,22,23)/t16-/m0/s1
InChIKeyBGYMCHVGBLIVMI-INIZCTEOSA-N
XLogP1.45
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.45
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-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 56786115
(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 96516993
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 100679012
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide (CID 95619721) is (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide is O=C(NCCNc1ncccn1)[C@@H]1CCCCN1Cc1cccnc1.
What is the InChIKey of (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide?
The InChIKey is BGYMCHVGBLIVMI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N6O/c25-17(20-10-11-23-18-21-8-4-9-22-18)16-6-1-2-12-24(16)14-15-5-3-7-19-13-15/h3-5,7-9,13,16H,1-2,6,10-12,14H2,(H,20,25)(H,21,22,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide?
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 95619721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).