1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide

C15H24N4O — CID 62845577

IUPAC1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(CN)CCCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-12-8-18-13(9-17-12)10-19-14(20)15(11-16)6-4-2-3-5-7-15/h8-9H,2-7,10-11,16H2,1H3,(H,19,20)
InChIKeyMPJARIMZPAMROA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

About 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide

1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide (PubChem CID 62845577) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
PubChem CID62845577
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(CN)CCCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-12-8-18-13(9-17-12)10-19-14(20)15(11-16)6-4-2-3-5-7-15/h8-9H,2-7,10-11,16H2,1H3,(H,19,20)
InChIKeyMPJARIMZPAMROA-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
(5-methylpyrazin-2-yl)methylurea
CID 62845946
1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide
CID 80597501
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
1-[(5-methylpyrazin-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 114997429
1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62848325
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide (CID 62845577) is 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide is Cc1cnc(CNC(=O)C2(CN)CCCCCC2)cn1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide?
The InChIKey is MPJARIMZPAMROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-8-18-13(9-17-12)10-19-14(20)15(11-16)6-4-2-3-5-7-15/h8-9H,2-7,10-11,16H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide?
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 62845577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).