2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide

C13H16ClN5O — CID 114922479

IUPAC2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H16ClN5O/c1-8-9(6-18-19-8)3-2-4-16-13(20)10-5-12(15)17-7-11(10)14/h5-7H,2-4H2,1H3,(H2,15,17)(H,16,20)(H,18,19)
InChIKeyDOFUADONYFYPEO-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.71
Rot. Bonds5

About 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide (PubChem CID 114922479) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
PubChem CID114922479
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H16ClN5O/c1-8-9(6-18-19-8)3-2-4-16-13(20)10-5-12(15)17-7-11(10)14/h5-7H,2-4H2,1H3,(H2,15,17)(H,16,20)(H,18,19)
InChIKeyDOFUADONYFYPEO-UHFFFAOYSA-N
XLogP1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
5-amino-2-bromo-4-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62815798
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide (CID 114922479) is 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide is Cc1[nH]ncc1CCCNC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
The InChIKey is DOFUADONYFYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-9(6-18-19-8)3-2-4-16-13(20)10-5-12(15)17-7-11(10)14/h5-7H,2-4H2,1H3,(H2,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).