N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride

C15H20ClN5O2 — CID 119452366

IUPACN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1n[nH]c2ccccc12)NC1CCNC1
InChIInChI=1S/C15H19N5O2.ClH/c21-13(18-10-5-7-16-9-10)6-8-17-15(22)14-11-3-1-2-4-12(11)19-20-14;/h1-4,10,16H,5-9H2,(H,17,22)(H,18,21)(H,19,20);1H
InChIKeyOXFIWIGIYXXICM-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.58
Rot. Bonds5

About N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride

N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119452366) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119452366
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1n[nH]c2ccccc12)NC1CCNC1
InChIInChI=1S/C15H19N5O2.ClH/c21-13(18-10-5-7-16-9-10)6-8-17-15(22)14-11-3-1-2-4-12(11)19-20-14;/h1-4,10,16H,5-9H2,(H,17,22)(H,18,21)(H,19,20);1H
InChIKeyOXFIWIGIYXXICM-UHFFFAOYSA-N
XLogP0.58
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120599389
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120642100
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride (CID 119452366) is N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)c1n[nH]c2ccccc12)NC1CCNC1.
What is the InChIKey of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is OXFIWIGIYXXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c21-13(18-10-5-7-16-9-10)6-8-17-15(22)14-11-3-1-2-4-12(11)19-20-14;/h1-4,10,16H,5-9H2,(H,17,22)(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119452366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).