4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide

C14H19N3O — CID 114158303

IUPAC4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18)
InChIKeyRWXBYGXKLMNKCD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide (PubChem CID 114158303) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
PubChem CID114158303
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18)
InChIKeyRWXBYGXKLMNKCD-UHFFFAOYSA-N
XLogP1.94
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336
4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106391502
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide (CID 114158303) is 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide is C#CCCCCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The InChIKey is RWXBYGXKLMNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18).
What are the key properties of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide is sourced from PubChem (CID 114158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).