6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide

C11H17N5O — CID 106909083

IUPAC6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(N)C2)n1
InChIInChI=1S/C11H17N5O/c12-8-4-5-16(6-8)7-9-2-1-3-10(14-9)11(17)15-13/h1-3,8H,4-7,12-13H2,(H,15,17)
InChIKeyXAQQHUQDMQWTNU-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.78
Rot. Bonds3

About 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide

6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909083) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909083
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(N)C2)n1
InChIInChI=1S/C11H17N5O/c12-8-4-5-16(6-8)7-9-2-1-3-10(14-9)11(17)15-13/h1-3,8H,4-7,12-13H2,(H,15,17)
InChIKeyXAQQHUQDMQWTNU-UHFFFAOYSA-N
XLogP-0.78
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909097
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
N-[1-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 106909367
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
CID 106909365
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998
6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909093
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909083) is 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CN2CCC(N)C2)n1.
What is the InChIKey of 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is XAQQHUQDMQWTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-8-4-5-16(6-8)7-9-2-1-3-10(14-9)11(17)15-13/h1-3,8H,4-7,12-13H2,(H,15,17).
What are the key properties of 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 235.29 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).