N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C18H27ClN6O2 — CID 171711960

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCCn1cnnc1CCNC(=O)c1cncc(CC2CCNC2)c1.Cl
InChIInChI=1S/C18H26N6O2.ClH/c1-26-7-6-24-13-22-23-17(24)3-5-21-18(25)16-9-15(11-20-12-16)8-14-2-4-19-10-14;/h9,11-14,19H,2-8,10H2,1H3,(H,21,25);1H
InChIKeyNZUCFTOAQZLQHR-UHFFFAOYSA-N
MW394.91 g/mol
LogP0.87
Rot. Bonds9

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 171711960) has the molecular formula C18H27ClN6O2 and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID171711960
Molecular FormulaC18H27ClN6O2
Molecular Weight394.91 g/mol
Exact Mass394.19
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCCn1cnnc1CCNC(=O)c1cncc(CC2CCNC2)c1.Cl
InChIInChI=1S/C18H26N6O2.ClH/c1-26-7-6-24-13-22-23-17(24)3-5-21-18(25)16-9-15(11-20-12-16)8-14-2-4-19-10-14;/h9,11-14,19H,2-8,10H2,1H3,(H,21,25);1H
InChIKeyNZUCFTOAQZLQHR-UHFFFAOYSA-N
XLogP0.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 171711960) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is COCCn1cnnc1CCNC(=O)c1cncc(CC2CCNC2)c1.Cl.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is NZUCFTOAQZLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2.ClH/c1-26-7-6-24-13-22-23-17(24)3-5-21-18(25)16-9-15(11-20-12-16)8-14-2-4-19-10-14;/h9,11-14,19H,2-8,10H2,1H3,(H,21,25);1H.
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 394.91 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171711960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).