N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide

C14H21N5O2 — CID 87740588

IUPACN-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CNC=O)(C(=O)NNc2cnccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-11-2-4-14(5-3-11,9-16-10-20)13(21)19-18-12-8-15-6-7-17-12/h6-8,10-11H,2-5,9H2,1H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyLFWRCGUQTAYWJX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds6

About N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide

N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide (PubChem CID 87740588) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide
PubChem CID87740588
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CNC=O)(C(=O)NNc2cnccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-11-2-4-14(5-3-11,9-16-10-20)13(21)19-18-12-8-15-6-7-17-12/h6-8,10-11H,2-5,9H2,1H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyLFWRCGUQTAYWJX-UHFFFAOYSA-N
XLogP0.86
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide?
The IUPAC name of N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide (CID 87740588) is N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide is CC1CCC(CNC=O)(C(=O)NNc2cnccn2)CC1.
What is the InChIKey of N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide?
The InChIKey is LFWRCGUQTAYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-2-4-14(5-3-11,9-16-10-20)13(21)19-18-12-8-15-6-7-17-12/h6-8,10-11H,2-5,9H2,1H3,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide?
N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide has a molecular weight of 291.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 87740588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).