4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C15H19N5O — CID 83567464

IUPAC4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C15H19N5O/c1-2-3-4-8-18-15(21)12-10-19-14(20-13(12)16)11-6-5-7-17-9-11/h5-7,9-10H,2-4,8H2,1H3,(H,18,21)(H2,16,19,20)
InChIKeyRCONJJXIODPVBW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds6

About 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide

4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 83567464) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID83567464
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C15H19N5O/c1-2-3-4-8-18-15(21)12-10-19-14(20-13(12)16)11-6-5-7-17-9-11/h5-7,9-10H,2-4,8H2,1H3,(H,18,21)(H2,16,19,20)
InChIKeyRCONJJXIODPVBW-UHFFFAOYSA-N
XLogP2.04
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567488
N-octadecylpyridine-3-carboxamide
CID 3547337
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567494
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 83567464) is 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide is CCCCCNC(=O)c1cnc(-c2cccnc2)nc1N.
What is the InChIKey of 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is RCONJJXIODPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-4-8-18-15(21)12-10-19-14(20-13(12)16)11-6-5-7-17-9-11/h5-7,9-10H,2-4,8H2,1H3,(H,18,21)(H2,16,19,20).
What are the key properties of 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).