4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide

C13H18N4O2 — CID 63661508

IUPAC4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NC2CCC(=O)NC2)n(C2CC2)c1
InChIInChI=1S/C13H18N4O2/c14-8-5-11(17(7-8)10-2-3-10)13(19)16-9-1-4-12(18)15-6-9/h5,7,9-10H,1-4,6,14H2,(H,15,18)(H,16,19)
InChIKeyKSHZEVPSTWPGRF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide (PubChem CID 63661508) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
PubChem CID63661508
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NC2CCC(=O)NC2)n(C2CC2)c1
InChIInChI=1S/C13H18N4O2/c14-8-5-11(17(7-8)10-2-3-10)13(19)16-9-1-4-12(18)15-6-9/h5,7,9-10H,1-4,6,14H2,(H,15,18)(H,16,19)
InChIKeyKSHZEVPSTWPGRF-UHFFFAOYSA-N
XLogP0.41
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 54949762
4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
4-amino-1-cyclopropyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139290
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
CID 107211253
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
CID 55214904
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide (CID 63661508) is 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide is Nc1cc(C(=O)NC2CCC(=O)NC2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is KSHZEVPSTWPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-8-5-11(17(7-8)10-2-3-10)13(19)16-9-1-4-12(18)15-6-9/h5,7,9-10H,1-4,6,14H2,(H,15,18)(H,16,19).
What are the key properties of 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 63661508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).