(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone

C11H16N4O — CID 139832748

IUPAC(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cnc1N
InChIInChI=1S/C11H16N4O/c12-9-6-8(7-14-10(9)13)11(16)15-4-2-1-3-5-15/h6-7H,1-5,12H2,(H2,13,14)
InChIKeyNAKBKSMRYWYSSH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.87
Rot. Bonds1

About (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone

(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 139832748) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
PubChem CID139832748
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cnc1N
InChIInChI=1S/C11H16N4O/c12-9-6-8(7-14-10(9)13)11(16)15-4-2-1-3-5-15/h6-7H,1-5,12H2,(H2,13,14)
InChIKeyNAKBKSMRYWYSSH-UHFFFAOYSA-N
XLogP0.87
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(6-amino-5-chloro-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 55042155
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366

Frequently Asked Questions

What is the IUPAC name of (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone (CID 139832748) is (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)cnc1N.
What is the InChIKey of (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is NAKBKSMRYWYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-9-6-8(7-14-10(9)13)11(16)15-4-2-1-3-5-15/h6-7H,1-5,12H2,(H2,13,14).
What are the key properties of (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone?
(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 139832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).