N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C16H23ClN6O — CID 171708016

IUPACN-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCCCn1cc(NC(=O)c2cncc(CC3CCNC3)c2)nn1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-2-5-22-11-15(20-21-22)19-16(23)14-7-13(9-18-10-14)6-12-3-4-17-8-12;/h7,9-12,17H,2-6,8H2,1H3,(H,19,23);1H
InChIKeyOSDKVHMFSROIAN-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.91
Rot. Bonds6

About N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 171708016) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID171708016
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC NameN-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCCCn1cc(NC(=O)c2cncc(CC3CCNC3)c2)nn1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-2-5-22-11-15(20-21-22)19-16(23)14-7-13(9-18-10-14)6-12-3-4-17-8-12;/h7,9-12,17H,2-6,8H2,1H3,(H,19,23);1H
InChIKeyOSDKVHMFSROIAN-UHFFFAOYSA-N
XLogP1.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 171708016) is N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is CCCn1cc(NC(=O)c2cncc(CC3CCNC3)c2)nn1.Cl.
What is the InChIKey of N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is OSDKVHMFSROIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.ClH/c1-2-5-22-11-15(20-21-22)19-16(23)14-7-13(9-18-10-14)6-12-3-4-17-8-12;/h7,9-12,17H,2-6,8H2,1H3,(H,19,23);1H.
What are the key properties of N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).