4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide

C14H25N3O2 — CID 106164046

IUPAC4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H25N3O2/c1-4-7-17-10-11(15)9-12(17)13(19)16-14(3,5-2)6-8-18/h9-10,18H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyBQGQKMQPKDCQKF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds7

About 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide

4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 106164046) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide
PubChem CID106164046
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H25N3O2/c1-4-7-17-10-11(15)9-12(17)13(19)16-14(3,5-2)6-8-18/h9-10,18H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyBQGQKMQPKDCQKF-UHFFFAOYSA-N
XLogP1.76
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide (CID 106164046) is 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(C)(CC)CCO.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is BQGQKMQPKDCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-17-10-11(15)9-12(17)13(19)16-14(3,5-2)6-8-18/h9-10,18H,4-8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106164046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).