1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide

C19H28N6O3 — CID 11589163

IUPAC1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCOc1nc(NC(=O)CN2CCC(C(=O)NC(C)C)CC2)cc(N)c1C#N
InChIInChI=1S/C19H28N6O3/c1-4-28-19-14(10-20)15(21)9-16(24-19)23-17(26)11-25-7-5-13(6-8-25)18(27)22-12(2)3/h9,12-13H,4-8,11H2,1-3H3,(H,22,27)(H3,21,23,24,26)
InChIKeyAEHOYSAJZSVRLQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.11
Rot. Bonds7

About 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 11589163) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID11589163
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCOc1nc(NC(=O)CN2CCC(C(=O)NC(C)C)CC2)cc(N)c1C#N
InChIInChI=1S/C19H28N6O3/c1-4-28-19-14(10-20)15(21)9-16(24-19)23-17(26)11-25-7-5-13(6-8-25)18(27)22-12(2)3/h9,12-13H,4-8,11H2,1-3H3,(H,22,27)(H3,21,23,24,26)
InChIKeyAEHOYSAJZSVRLQ-UHFFFAOYSA-N
XLogP1.11
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 11589163) is 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide is CCOc1nc(NC(=O)CN2CCC(C(=O)NC(C)C)CC2)cc(N)c1C#N.
What is the InChIKey of 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is AEHOYSAJZSVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-28-19-14(10-20)15(21)9-16(24-19)23-17(26)11-25-7-5-13(6-8-25)18(27)22-12(2)3/h9,12-13H,4-8,11H2,1-3H3,(H,22,27)(H3,21,23,24,26).
What are the key properties of 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 11589163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).