N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

C13H20Cl2N6O — CID 120650100

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C13H18N6O.2ClH/c1-3-15-10(2)7-17-13(20)11-4-5-16-12(6-11)19-9-14-8-18-19;;/h4-6,8-10,15H,3,7H2,1-2H3,(H,17,20);2*1H/t10-;;/m1../s1
InChIKeyMWHPWBBJLARPIX-YQFADDPSSA-N
MW347.25 g/mol
LogP1.23
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 120650100) has the molecular formula C13H20Cl2N6O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID120650100
Molecular FormulaC13H20Cl2N6O
Molecular Weight347.25 g/mol
Exact Mass346.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C13H18N6O.2ClH/c1-3-15-10(2)7-17-13(20)11-4-5-16-12(6-11)19-9-14-8-18-19;;/h4-6,8-10,15H,3,7H2,1-2H3,(H,17,20);2*1H/t10-;;/m1../s1
InChIKeyMWHPWBBJLARPIX-YQFADDPSSA-N
XLogP1.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51102624
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (CID 120650100) is N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is MWHPWBBJLARPIX-YQFADDPSSA-N. The full InChI is InChI=1S/C13H18N6O.2ClH/c1-3-15-10(2)7-17-13(20)11-4-5-16-12(6-11)19-9-14-8-18-19;;/h4-6,8-10,15H,3,7H2,1-2H3,(H,17,20);2*1H/t10-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 347.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).