N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide

C12H18N4O — CID 43596390

IUPACN-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCCNC2CC2)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-2-5-13-10-3-4-10/h7-8,10,13H,2-6H2,1H3,(H,14,17)
InChIKeyMGCOWPBDQULBFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.66
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide

N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide (PubChem CID 43596390) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
PubChem CID43596390
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCCNC2CC2)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-2-5-13-10-3-4-10/h7-8,10,13H,2-6H2,1H3,(H,14,17)
InChIKeyMGCOWPBDQULBFG-UHFFFAOYSA-N
XLogP0.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 62662773
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-[4-(cyclopropylamino)-4-oxobutyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107376158

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide (CID 43596390) is N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCCCNC2CC2)cn1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is MGCOWPBDQULBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-2-5-13-10-3-4-10/h7-8,10,13H,2-6H2,1H3,(H,14,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide?
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 43596390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).