N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide

C9H10ClN3OS — CID 66462619

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
SMILESNC(=S)CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-7-5-12-3-1-6(7)9(14)13-4-2-8(11)15/h1,3,5H,2,4H2,(H2,11,15)(H,13,14)
InChIKeyRBWGKGICKNFBLW-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.14
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide (PubChem CID 66462619) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
PubChem CID66462619
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
SMILESNC(=S)CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-7-5-12-3-1-6(7)9(14)13-4-2-8(11)15/h1,3,5H,2,4H2,(H2,11,15)(H,13,14)
InChIKeyRBWGKGICKNFBLW-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66462226
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide (CID 66462619) is N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide is NC(=S)CCNC(=O)c1ccncc1Cl.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide?
The InChIKey is RBWGKGICKNFBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-7-5-12-3-1-6(7)9(14)13-4-2-8(11)15/h1,3,5H,2,4H2,(H2,11,15)(H,13,14).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide has a molecular weight of 243.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66462619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).