4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride

C14H21Cl2N5O — CID 120564578

IUPAC4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccnc(-n2cccn2)c1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-11(15)3-4-14(20)17-10-12-5-7-16-13(9-12)19-8-2-6-18-19;;/h2,5-9,11H,3-4,10,15H2,1H3,(H,17,20);2*1H
InChIKeyXZPYSXQQNRKBKY-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.85
Rot. Bonds6

About 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride

4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride (PubChem CID 120564578) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
PubChem CID120564578
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccnc(-n2cccn2)c1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-11(15)3-4-14(20)17-10-12-5-7-16-13(9-12)19-8-2-6-18-19;;/h2,5-9,11H,3-4,10,15H2,1H3,(H,17,20);2*1H
InChIKeyXZPYSXQQNRKBKY-UHFFFAOYSA-N
XLogP1.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
2-(4-tert-butylphenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619723
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
CID 55746890
2-methyl-1-(3-methylbutan-2-yl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111000331
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
2-methyl-1-(5-methylhexan-2-yl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111204279

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride (CID 120564578) is 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1ccnc(-n2cccn2)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride?
The InChIKey is XZPYSXQQNRKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-11(15)3-4-14(20)17-10-12-5-7-16-13(9-12)19-8-2-6-18-19;;/h2,5-9,11H,3-4,10,15H2,1H3,(H,17,20);2*1H.
What are the key properties of 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride?
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).