N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

C24H24N6OS — CID 67125717

IUPACN-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NCc2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C24H24N6OS/c1-16-4-5-18(28-15-17-6-7-26-22(12-17)30-10-2-3-11-30)13-19(16)29-23(31)21-14-20-24(32-21)27-9-8-25-20/h4-9,12-14,28H,2-3,10-11,15H2,1H3,(H,29,31)
InChIKeyXQDVVBHFXBRQKS-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.86
Rot. Bonds6

About N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 67125717) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID67125717
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC NameN-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NCc2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C24H24N6OS/c1-16-4-5-18(28-15-17-6-7-26-22(12-17)30-10-2-3-11-30)13-19(16)29-23(31)21-14-20-24(32-21)27-9-8-25-20/h4-9,12-14,28H,2-3,10-11,15H2,1H3,(H,29,31)
InChIKeyXQDVVBHFXBRQKS-UHFFFAOYSA-N
XLogP4.86
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
CID 67125591
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 53498401
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969451
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 67125717) is N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NCc2ccnc(N3CCCC3)c2)cc1NC(=O)c1cc2nccnc2s1.
What is the InChIKey of N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is XQDVVBHFXBRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-16-4-5-18(28-15-17-6-7-26-22(12-17)30-10-2-3-11-30)13-19(16)29-23(31)21-14-20-24(32-21)27-9-8-25-20/h4-9,12-14,28H,2-3,10-11,15H2,1H3,(H,29,31).
What are the key properties of N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 67125717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).