N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide

C12H13N5O2 — CID 57381850

IUPACN-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)NO)cn1)c1ccncc1
InChIInChI=1S/C12H13N5O2/c1-8(9-2-4-13-5-3-9)16-12-14-6-10(7-15-12)11(18)17-19/h2-8,19H,1H3,(H,17,18)(H,14,15,16)
InChIKeyUYQRPBKIKYLDGQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.16
Rot. Bonds4

About N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide

N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 57381850) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
PubChem CID57381850
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESCC(Nc1ncc(C(=O)NO)cn1)c1ccncc1
InChIInChI=1S/C12H13N5O2/c1-8(9-2-4-13-5-3-9)16-12-14-6-10(7-15-12)11(18)17-19/h2-8,19H,1H3,(H,17,18)(H,14,15,16)
InChIKeyUYQRPBKIKYLDGQ-UHFFFAOYSA-N
XLogP1.16
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide (CID 57381850) is N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide is CC(Nc1ncc(C(=O)NO)cn1)c1ccncc1.
What is the InChIKey of N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is UYQRPBKIKYLDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8(9-2-4-13-5-3-9)16-12-14-6-10(7-15-12)11(18)17-19/h2-8,19H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-pyridin-4-ylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57381850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).