2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide

C12H15ClN4O2 — CID 115605591

IUPAC2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-9-5-8(6-10(14)17-9)12(19)16-4-3-15-11(18)7-1-2-7/h5-7H,1-4H2,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyNCJZVFDMXTXUNI-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide (PubChem CID 115605591) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
PubChem CID115605591
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-9-5-8(6-10(14)17-9)12(19)16-4-3-15-11(18)7-1-2-7/h5-7H,1-4H2,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyNCJZVFDMXTXUNI-UHFFFAOYSA-N
XLogP0.57
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide (CID 115605591) is 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is NCJZVFDMXTXUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-9-5-8(6-10(14)17-9)12(19)16-4-3-15-11(18)7-1-2-7/h5-7H,1-4H2,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 115605591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).