N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide

C22H25N5OS — CID 26359267

IUPACN-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1cccs1
InChIInChI=1S/C22H25N5OS/c1-16(21-3-2-14-29-21)25-18-8-12-27(13-9-18)19-6-4-17(5-7-19)26-22(28)20-15-23-10-11-24-20/h2-7,10-11,14-16,18,25H,8-9,12-13H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyGMVNQYWNAVGTBM-MRXNPFEDSA-N
MW407.54 g/mol
LogP4.11
Rot. Bonds6

About N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide

N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 26359267) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
PubChem CID26359267
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1cccs1
InChIInChI=1S/C22H25N5OS/c1-16(21-3-2-14-29-21)25-18-8-12-27(13-9-18)19-6-4-17(5-7-19)26-22(28)20-15-23-10-11-24-20/h2-7,10-11,14-16,18,25H,8-9,12-13H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyGMVNQYWNAVGTBM-MRXNPFEDSA-N
XLogP4.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 45201861
N-[4-[4-(2,3-dihydro-1H-inden-1-ylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 126466841
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1140610

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide (CID 26359267) is N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide is C[C@@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1cccs1.
What is the InChIKey of N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is GMVNQYWNAVGTBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-16(21-3-2-14-29-21)25-18-8-12-27(13-9-18)19-6-4-17(5-7-19)26-22(28)20-15-23-10-11-24-20/h2-7,10-11,14-16,18,25H,8-9,12-13H2,1H3,(H,26,28)/t16-/m1/s1.
What are the key properties of N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 26359267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).