[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid

C14H21ClN4O3 — CID 134540142

IUPAC[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
SMILESCCN(CC)C(C)CNC(=O)c1cc(Cl)nc(NC(=O)O)c1
InChIInChI=1S/C14H21ClN4O3/c1-4-19(5-2)9(3)8-16-13(20)10-6-11(15)17-12(7-10)18-14(21)22/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,17,18)(H,21,22)
InChIKeyGZDSBUBWRMWMHW-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.29
Rot. Bonds7

About [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid

[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid (PubChem CID 134540142) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
PubChem CID134540142
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC Name[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
SMILESCCN(CC)C(C)CNC(=O)c1cc(Cl)nc(NC(=O)O)c1
InChIInChI=1S/C14H21ClN4O3/c1-4-19(5-2)9(3)8-16-13(20)10-6-11(15)17-12(7-10)18-14(21)22/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,17,18)(H,21,22)
InChIKeyGZDSBUBWRMWMHW-UHFFFAOYSA-N
XLogP2.29
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 134540207
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 52585751
2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide
CID 134574498
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid (CID 134540142) is [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid is CCN(CC)C(C)CNC(=O)c1cc(Cl)nc(NC(=O)O)c1.
What is the InChIKey of [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid?
The InChIKey is GZDSBUBWRMWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O3/c1-4-19(5-2)9(3)8-16-13(20)10-6-11(15)17-12(7-10)18-14(21)22/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,17,18)(H,21,22).
What are the key properties of [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid?
[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid has a molecular weight of 328.80 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 134540142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).