4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide

C12H19N3O2 — CID 65104236

IUPAC4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1(O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-15-7-9(13)6-10(15)11(16)14-8-12(17)4-2-3-5-12/h6-7,17H,2-5,8,13H2,1H3,(H,14,16)
InChIKeyBBTZMYWYHDYMLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds3

About 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 65104236) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID65104236
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1(O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-15-7-9(13)6-10(15)11(16)14-8-12(17)4-2-3-5-12/h6-7,17H,2-5,8,13H2,1H3,(H,14,16)
InChIKeyBBTZMYWYHDYMLE-UHFFFAOYSA-N
XLogP0.64
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65117737
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61210970
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
4-amino-1-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2-carboxamide
CID 81134641
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide (CID 65104236) is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCC1(O)CCCC1.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BBTZMYWYHDYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-7-9(13)6-10(15)11(16)14-8-12(17)4-2-3-5-12/h6-7,17H,2-5,8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65104236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).