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

C25H27N5O3 — CID 12042269

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O3/c1-15-10-19-12-20(11-17-6-4-3-5-7-17)24(32)29-23(19)25(33)30(15)14-22(31)27-13-18-8-9-21(26)28-16(18)2/h3-10,20H,11-14H2,1-2H3,(H2,26,28)(H,27,31)(H,29,32)/t20-/m1/s1
InChIKeyLFTNXNYQMYFYFQ-HXUWFJFHSA-N
MW445.52 g/mol
LogP2.11
Rot. Bonds6

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide (PubChem CID 12042269) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
PubChem CID12042269
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O3/c1-15-10-19-12-20(11-17-6-4-3-5-7-17)24(32)29-23(19)25(33)30(15)14-22(31)27-13-18-8-9-21(26)28-16(18)2/h3-10,20H,11-14H2,1-2H3,(H2,26,28)(H,27,31)(H,29,32)/t20-/m1/s1
InChIKeyLFTNXNYQMYFYFQ-HXUWFJFHSA-N
XLogP2.11
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.11
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-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide (CID 12042269) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The InChIKey is LFTNXNYQMYFYFQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-10-19-12-20(11-17-6-4-3-5-7-17)24(32)29-23(19)25(33)30(15)14-22(31)27-13-18-8-9-21(26)28-16(18)2/h3-10,20H,11-14H2,1-2H3,(H2,26,28)(H,27,31)(H,29,32)/t20-/m1/s1.
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 2.11, 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-benzyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 12042269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).