3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

C25H29N7O4 — CID 118114495

IUPAC3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C25H29N7O4/c1-3-36-21-11-8-17(13-27-21)29-24-22(23(26)33)28-14-20(31-24)32-12-4-5-18(15-32)30-25(34)16-6-9-19(35-2)10-7-16/h6-11,13-14,18H,3-5,12,15H2,1-2H3,(H2,26,33)(H,29,31)(H,30,34)/t18-/m1/s1
InChIKeyYEESYGBNNQSUHW-GOSISDBHSA-N
MW491.55 g/mol
LogP2.52
Rot. Bonds9

About 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 118114495) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID118114495
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Name3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C25H29N7O4/c1-3-36-21-11-8-17(13-27-21)29-24-22(23(26)33)28-14-20(31-24)32-12-4-5-18(15-32)30-25(34)16-6-9-19(35-2)10-7-16/h6-11,13-14,18H,3-5,12,15H2,1-2H3,(H2,26,33)(H,29,31)(H,30,34)/t18-/m1/s1
InChIKeyYEESYGBNNQSUHW-GOSISDBHSA-N
XLogP2.52
TPSA144.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (CID 118114495) is 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is CCOc1ccc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)cnc2C(N)=O)cn1.
What is the InChIKey of 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is YEESYGBNNQSUHW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-3-36-21-11-8-17(13-27-21)29-24-22(23(26)33)28-14-20(31-24)32-12-4-5-18(15-32)30-25(34)16-6-9-19(35-2)10-7-16/h6-11,13-14,18H,3-5,12,15H2,1-2H3,(H2,26,33)(H,29,31)(H,30,34)/t18-/m1/s1.
What are the key properties of 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?
3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-3-pyridinyl)amino]-5-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118114495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).