N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride

C14H19Cl2N5O2 — CID 120947554

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C14H17N5O2.2ClH/c20-13-9-15-7-10(13)8-17-14(21)12-6-11(2-4-16-12)19-5-1-3-18-19;;/h1-6,10,13,15,20H,7-9H2,(H,17,21);2*1H
InChIKeyPJVKKPPNQPOCJS-UHFFFAOYSA-N
MW360.25 g/mol
LogP0.42
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 120947554) has the molecular formula C14H19Cl2N5O2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID120947554
Molecular FormulaC14H19Cl2N5O2
Molecular Weight360.25 g/mol
Exact Mass359.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C14H17N5O2.2ClH/c20-13-9-15-7-10(13)8-17-14(21)12-6-11(2-4-16-12)19-5-1-3-18-19;;/h1-6,10,13,15,20H,7-9H2,(H,17,21);2*1H
InChIKeyPJVKKPPNQPOCJS-UHFFFAOYSA-N
XLogP0.42
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 120827316
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
N-(4-hydroxycyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 111433062
4-pyrazol-1-yl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 71801475
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119609496
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride
CID 120946416
N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119474816
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619
4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120810575

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride (CID 120947554) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CNCC1O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is PJVKKPPNQPOCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2.2ClH/c20-13-9-15-7-10(13)8-17-14(21)12-6-11(2-4-16-12)19-5-1-3-18-19;;/h1-6,10,13,15,20H,7-9H2,(H,17,21);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 360.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120947554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).