N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide

C14H20N4O2 — CID 77005162

IUPACN-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H20N4O2/c1-2-7-18(9-10-3-4-10)14(19)12-6-5-11(8-16-12)13(15)17-20/h5-6,8,10,20H,2-4,7,9H2,1H3,(H2,15,17)
InChIKeyFPXOOVIEBUNNLC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide

N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide (PubChem CID 77005162) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
PubChem CID77005162
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H20N4O2/c1-2-7-18(9-10-3-4-10)14(19)12-6-5-11(8-16-12)13(15)17-20/h5-6,8,10,20H,2-4,7,9H2,1H3,(H2,15,17)
InChIKeyFPXOOVIEBUNNLC-UHFFFAOYSA-N
XLogP1.44
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79470697
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 77005098
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 76996434
N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005127
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
N-(cyclopropylmethyl)-5-(methylamino)-N-propylpyrazine-2-carboxamide
CID 107374841
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide (CID 77005162) is N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide is CCCN(CC1CC1)C(=O)c1ccc(C(N)=NO)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide?
The InChIKey is FPXOOVIEBUNNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-7-18(9-10-3-4-10)14(19)12-6-5-11(8-16-12)13(15)17-20/h5-6,8,10,20H,2-4,7,9H2,1H3,(H2,15,17).
What are the key properties of N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 77005162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).