4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide

C12H19N3O2 — CID 114097509

IUPAC4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C12H19N3O2/c13-10-6-11(15-7-10)12(16)14-4-1-5-17-8-9-2-3-9/h6-7,9,15H,1-5,8,13H2,(H,14,16)
InChIKeyYPLSTLHTZPCTPH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds7

About 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide

4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 114097509) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
PubChem CID114097509
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C12H19N3O2/c13-10-6-11(15-7-10)12(16)14-4-1-5-17-8-9-2-3-9/h6-7,9,15H,1-5,8,13H2,(H,14,16)
InChIKeyYPLSTLHTZPCTPH-UHFFFAOYSA-N
XLogP1.14
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107410962
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide (CID 114097509) is 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCCCOCC2CC2)c1.
What is the InChIKey of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YPLSTLHTZPCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10-6-11(15-7-10)12(16)14-4-1-5-17-8-9-2-3-9/h6-7,9,15H,1-5,8,13H2,(H,14,16).
What are the key properties of 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114097509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).