(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide

C11H16N4O — CID 106896121

IUPAC(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnn1)[C@@H]1CCCNC1
InChIInChI=1S/C11H16N4O/c16-11(9-3-1-5-12-7-9)13-8-10-4-2-6-14-15-10/h2,4,6,9,12H,1,3,5,7-8H2,(H,13,16)/t9-/m1/s1
InChIKeyFPTBTSSOSIJDQW-SECBINFHSA-N
MW220.28 g/mol
LogP0.09
Rot. Bonds3

About (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide

(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 106896121) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID106896121
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnn1)[C@@H]1CCCNC1
InChIInChI=1S/C11H16N4O/c16-11(9-3-1-5-12-7-9)13-8-10-4-2-6-14-15-10/h2,4,6,9,12H,1,3,5,7-8H2,(H,13,16)/t9-/m1/s1
InChIKeyFPTBTSSOSIJDQW-SECBINFHSA-N
XLogP0.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
1-piperidin-3-yl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895080
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide (CID 106896121) is (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FPTBTSSOSIJDQW-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(9-3-1-5-12-7-9)13-8-10-4-2-6-14-15-10/h2,4,6,9,12H,1,3,5,7-8H2,(H,13,16)/t9-/m1/s1.
What are the key properties of (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 106896121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).