N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide

C23H31N5O3 — CID 10387708

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@](C)(CC(C)C)C2
InChIInChI=1S/C23H31N5O3/c1-13(2)9-23(5)10-17-8-14(3)28(21(30)20(17)27-22(23)31)12-19(29)25-11-16-6-7-18(24)26-15(16)4/h6-8,13H,9-12H2,1-5H3,(H2,24,26)(H,25,29)(H,27,31)/t23-/m1/s1
InChIKeyLEKJANNKDBZUCB-HSZRJFAPSA-N
MW425.53 g/mol
LogP2.31
Rot. Bonds6

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide (PubChem CID 10387708) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide
PubChem CID10387708
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@](C)(CC(C)C)C2
InChIInChI=1S/C23H31N5O3/c1-13(2)9-23(5)10-17-8-14(3)28(21(30)20(17)27-22(23)31)12-19(29)25-11-16-6-7-18(24)26-15(16)4/h6-8,13H,9-12H2,1-5H3,(H2,24,26)(H,25,29)(H,27,31)/t23-/m1/s1
InChIKeyLEKJANNKDBZUCB-HSZRJFAPSA-N
XLogP2.31
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide (CID 10387708) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@](C)(CC(C)C)C2.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide?
The InChIKey is LEKJANNKDBZUCB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-13(2)9-23(5)10-17-8-14(3)28(21(30)20(17)27-22(23)31)12-19(29)25-11-16-6-7-18(24)26-15(16)4/h6-8,13H,9-12H2,1-5H3,(H2,24,26)(H,25,29)(H,27,31)/t23-/m1/s1.
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3,6-dimethyl-3-(2-methylpropyl)-2,8-dioxo-1,4-dihydro-1,7-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 10387708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).