[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone

C16H18FN5O — CID 126840338

IUPAC[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(NC2CCN(C(=O)c3ccncc3)CC2)nc(F)n1
InChIInChI=1S/C16H18FN5O/c1-11-10-14(21-16(17)19-11)20-13-4-8-22(9-5-13)15(23)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20,21)
InChIKeyWHKXMJBYCHJYEQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.04
Rot. Bonds3

About [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 126840338) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID126840338
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(NC2CCN(C(=O)c3ccncc3)CC2)nc(F)n1
InChIInChI=1S/C16H18FN5O/c1-11-10-14(21-16(17)19-11)20-13-4-8-22(9-5-13)15(23)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20,21)
InChIKeyWHKXMJBYCHJYEQ-UHFFFAOYSA-N
XLogP2.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 126840338) is [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(NC2CCN(C(=O)c3ccncc3)CC2)nc(F)n1.
What is the InChIKey of [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WHKXMJBYCHJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-11-10-14(21-16(17)19-11)20-13-4-8-22(9-5-13)15(23)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20,21).
What are the key properties of [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 315.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 126840338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).