[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone

C14H20N4O — CID 68722687

IUPAC[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESNc1ccc(NC2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C14H20N4O/c15-11-3-4-13(16-9-11)17-12-5-7-18(8-6-12)14(19)10-1-2-10/h3-4,9-10,12H,1-2,5-8,15H2,(H,16,17)
InChIKeyKEQJIORCDSYLFY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds3

About [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone

[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 68722687) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID68722687
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESNc1ccc(NC2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C14H20N4O/c15-11-3-4-13(16-9-11)17-12-5-7-18(8-6-12)14(19)10-1-2-10/h3-4,9-10,12H,1-2,5-8,15H2,(H,16,17)
InChIKeyKEQJIORCDSYLFY-UHFFFAOYSA-N
XLogP1.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropylpyridine-2,5-diamine
CID 16776026
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
CID 68719868
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
CID 130948244
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone (CID 68722687) is [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone is Nc1ccc(NC2CCN(C(=O)C3CC3)CC2)nc1.
What is the InChIKey of [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is KEQJIORCDSYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-3-4-13(16-9-11)17-12-5-7-18(8-6-12)14(19)10-1-2-10/h3-4,9-10,12H,1-2,5-8,15H2,(H,16,17).
What are the key properties of [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone?
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 68722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).