2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C24H32N6O2 — CID 92621085

IUPAC2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C24H32N6O2/c1-2-19-8-4-6-11-29(19)16-22(31)30-12-9-21-17(15-30)13-20(23(25)28-21)24(32)27-14-18-7-3-5-10-26-18/h3,5,7,10,13,19H,2,4,6,8-9,11-12,14-16H2,1H3,(H2,25,28)(H,27,32)/t19-/m1/s1
InChIKeyDMDNNLHHQRCVAP-LJQANCHMSA-N
MW436.56 g/mol
LogP2.14
Rot. Bonds6

About 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 92621085) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID92621085
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C24H32N6O2/c1-2-19-8-4-6-11-29(19)16-22(31)30-12-9-21-17(15-30)13-20(23(25)28-21)24(32)27-14-18-7-3-5-10-26-18/h3,5,7,10,13,19H,2,4,6,8-9,11-12,14-16H2,1H3,(H2,25,28)(H,27,32)/t19-/m1/s1
InChIKeyDMDNNLHHQRCVAP-LJQANCHMSA-N
XLogP2.14
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 92621085) is 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC[C@@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1.
What is the InChIKey of 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is DMDNNLHHQRCVAP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-2-19-8-4-6-11-29(19)16-22(31)30-12-9-21-17(15-30)13-20(23(25)28-21)24(32)27-14-18-7-3-5-10-26-18/h3,5,7,10,13,19H,2,4,6,8-9,11-12,14-16H2,1H3,(H2,25,28)(H,27,32)/t19-/m1/s1.
What are the key properties of 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 92621085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).