N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide

C18H23N5O — CID 124991618

IUPACN-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C18H23N5O/c1-19-18(24)13-23-10-4-5-15(12-23)14-7-9-21-17(11-14)22-16-6-2-3-8-20-16/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1
InChIKeyPKSPHPQUZZKPQK-OAHLLOKOSA-N
MW325.42 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide

N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 124991618) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
PubChem CID124991618
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C18H23N5O/c1-19-18(24)13-23-10-4-5-15(12-23)14-7-9-21-17(11-14)22-16-6-2-3-8-20-16/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1
InChIKeyPKSPHPQUZZKPQK-OAHLLOKOSA-N
XLogP2.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 110111589
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125013777
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 110109854
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124952288
N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
CID 124949904
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111793

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide (CID 124991618) is N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1.
What is the InChIKey of N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is PKSPHPQUZZKPQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-19-18(24)13-23-10-4-5-15(12-23)14-7-9-21-17(11-14)22-16-6-2-3-8-20-16/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,19,24)(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 124991618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).