5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

C13H15N5O2S — CID 77005170

IUPAC5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(C(N)=NO)cn2)cs1
InChIInChI=1S/C13H15N5O2S/c1-8-16-10(7-21-8)6-18(2)13(19)11-4-3-9(5-15-11)12(14)17-20/h3-5,7,20H,6H2,1-2H3,(H2,14,17)
InChIKeyAABGVFLJVXSPRW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.21
Rot. Bonds4

About 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 77005170) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID77005170
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(C(N)=NO)cn2)cs1
InChIInChI=1S/C13H15N5O2S/c1-8-16-10(7-21-8)6-18(2)13(19)11-4-3-9(5-15-11)12(14)17-20/h3-5,7,20H,6H2,1-2H3,(H2,14,17)
InChIKeyAABGVFLJVXSPRW-UHFFFAOYSA-N
XLogP1.21
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466
3,5-difluoro-N'-hydroxy-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81286419
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374778
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (CID 77005170) is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(C(N)=NO)cn2)cs1.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is AABGVFLJVXSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-16-10(7-21-8)6-18(2)13(19)11-4-3-9(5-15-11)12(14)17-20/h3-5,7,20H,6H2,1-2H3,(H2,14,17).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 77005170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).