N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide

C18H30N6O2 — CID 167749260

IUPACN-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide
SMILESCO[C@@H]1CNC[C@@H](Nc2cnc(C(=O)N(C)C3CCCNCC3)cn2)C1
InChIInChI=1S/C18H30N6O2/c1-24(14-4-3-6-19-7-5-14)18(25)16-11-22-17(12-21-16)23-13-8-15(26-2)10-20-9-13/h11-15,19-20H,3-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1
InChIKeyAOXBKGLZMLAPBX-LWEDLAQUSA-N
MW362.48 g/mol
LogP0.48
Rot. Bonds5

About N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide

N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide (PubChem CID 167749260) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide
PubChem CID167749260
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide
SMILESCO[C@@H]1CNC[C@@H](Nc2cnc(C(=O)N(C)C3CCCNCC3)cn2)C1
InChIInChI=1S/C18H30N6O2/c1-24(14-4-3-6-19-7-5-14)18(25)16-11-22-17(12-21-16)23-13-8-15(26-2)10-20-9-13/h11-15,19-20H,3-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1
InChIKeyAOXBKGLZMLAPBX-LWEDLAQUSA-N
XLogP0.48
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602095
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
CID 114118099
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
5-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyrazine-2-carboxamide
CID 107374833
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116663032

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide (CID 167749260) is N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide is CO[C@@H]1CNC[C@@H](Nc2cnc(C(=O)N(C)C3CCCNCC3)cn2)C1.
What is the InChIKey of N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide?
The InChIKey is AOXBKGLZMLAPBX-LWEDLAQUSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-24(14-4-3-6-19-7-5-14)18(25)16-11-22-17(12-21-16)23-13-8-15(26-2)10-20-9-13/h11-15,19-20H,3-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1.
What are the key properties of N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide?
N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 167749260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).