N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide

C21H29N7O3 — CID 71849045

IUPACN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide
SMILESO=C(Cn1cc(NC(=O)C(=O)NCCCCNc2ccccn2)cn1)NC1CCCC1
InChIInChI=1S/C21H29N7O3/c29-19(26-16-7-1-2-8-16)15-28-14-17(13-25-28)27-21(31)20(30)24-12-6-5-11-23-18-9-3-4-10-22-18/h3-4,9-10,13-14,16H,1-2,5-8,11-12,15H2,(H,22,23)(H,24,30)(H,26,29)(H,27,31)
InChIKeyNWNXSMAWUZIRRF-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.28
Rot. Bonds10

About N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide

N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide (PubChem CID 71849045) has the molecular formula C21H29N7O3 and a molecular weight of 427.51 g/mol. Its IUPAC name is N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide.

Molecular Properties

Compound NameN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide
PubChem CID71849045
Molecular FormulaC21H29N7O3
Molecular Weight427.51 g/mol
Exact Mass427.23
IUPAC NameN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide
SMILESO=C(Cn1cc(NC(=O)C(=O)NCCCCNc2ccccn2)cn1)NC1CCCC1
InChIInChI=1S/C21H29N7O3/c29-19(26-16-7-1-2-8-16)15-28-14-17(13-25-28)27-21(31)20(30)24-12-6-5-11-23-18-9-3-4-10-22-18/h3-4,9-10,13-14,16H,1-2,5-8,11-12,15H2,(H,22,23)(H,24,30)(H,26,29)(H,27,31)
InChIKeyNWNXSMAWUZIRRF-UHFFFAOYSA-N
XLogP1.28
TPSA130.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
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CID 96542802
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97012787

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide?
The IUPAC name of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide (CID 71849045) is N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide.
What is the SMILES notation for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide?
The canonical SMILES for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide is O=C(Cn1cc(NC(=O)C(=O)NCCCCNc2ccccn2)cn1)NC1CCCC1.
What is the InChIKey of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide?
The InChIKey is NWNXSMAWUZIRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O3/c29-19(26-16-7-1-2-8-16)15-28-14-17(13-25-28)27-21(31)20(30)24-12-6-5-11-23-18-9-3-4-10-22-18/h3-4,9-10,13-14,16H,1-2,5-8,11-12,15H2,(H,22,23)(H,24,30)(H,26,29)(H,27,31).
What are the key properties of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide?
N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide has a molecular weight of 427.51 g/mol, XLogP of 1.28, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide is sourced from PubChem (CID 71849045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).