N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide

C19H20N6O3 — CID 99433492

IUPACN-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(CCNC(=O)c1n[nH]c2ccccc12)NCCC(=O)Nc1ccccn1
InChIInChI=1S/C19H20N6O3/c26-16(21-11-9-17(27)23-15-7-3-4-10-20-15)8-12-22-19(28)18-13-5-1-2-6-14(13)24-25-18/h1-7,10H,8-9,11-12H2,(H,21,26)(H,22,28)(H,24,25)(H,20,23,27)
InChIKeyBUQMDVICQYNYEK-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.22
Rot. Bonds8

About N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide

N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide (PubChem CID 99433492) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
PubChem CID99433492
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(CCNC(=O)c1n[nH]c2ccccc12)NCCC(=O)Nc1ccccn1
InChIInChI=1S/C19H20N6O3/c26-16(21-11-9-17(27)23-15-7-3-4-10-20-15)8-12-22-19(28)18-13-5-1-2-6-14(13)24-25-18/h1-7,10H,8-9,11-12H2,(H,21,26)(H,22,28)(H,24,25)(H,20,23,27)
InChIKeyBUQMDVICQYNYEK-UHFFFAOYSA-N
XLogP1.22
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[3-oxo-3-[3-(6-oxo-1H-pyridin-3-yl)anilino]propyl]-1H-indazole-3-carboxamide
CID 166358503
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
5-amino-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 54944801
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide (CID 99433492) is N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide is O=C(CCNC(=O)c1n[nH]c2ccccc12)NCCC(=O)Nc1ccccn1.
What is the InChIKey of N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide?
The InChIKey is BUQMDVICQYNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c26-16(21-11-9-17(27)23-15-7-3-4-10-20-15)8-12-22-19(28)18-13-5-1-2-6-14(13)24-25-18/h1-7,10H,8-9,11-12H2,(H,21,26)(H,22,28)(H,24,25)(H,20,23,27).
What are the key properties of N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide?
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99433492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).