N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

C17H24ClN5O2 — CID 120599389

IUPACN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)CCN1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11-10-12(6-8-18-11)20-15(23)7-9-19-17(24)16-13-4-2-3-5-14(13)21-22-16;/h2-5,11-12,18H,6-10H2,1H3,(H,19,24)(H,20,23)(H,21,22);1H
InChIKeyKWFYZXRQPTWBEU-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.36
Rot. Bonds5

About N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 120599389) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID120599389
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)CCN1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11-10-12(6-8-18-11)20-15(23)7-9-19-17(24)16-13-4-2-3-5-14(13)21-22-16;/h2-5,11-12,18H,6-10H2,1H3,(H,19,24)(H,20,23)(H,21,22);1H
InChIKeyKWFYZXRQPTWBEU-UHFFFAOYSA-N
XLogP1.36
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
2-(2H-indazol-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601030
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (CID 120599389) is N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is CC1CC(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)CCN1.Cl.
What is the InChIKey of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is KWFYZXRQPTWBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-11-10-12(6-8-18-11)20-15(23)7-9-19-17(24)16-13-4-2-3-5-14(13)21-22-16;/h2-5,11-12,18H,6-10H2,1H3,(H,19,24)(H,20,23)(H,21,22);1H.
What are the key properties of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120599389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).