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

C21H27N5O3 — CID 12042267

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
SMILESCCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O
InChIInChI=1S/C21H27N5O3/c1-4-5-14-9-16-8-12(2)26(21(29)19(16)25-20(14)28)11-18(27)23-10-15-6-7-17(22)24-13(15)3/h6-8,14H,4-5,9-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyHUWWMXFLXRQHOX-CQSZACIVSA-N
MW397.48 g/mol
LogP1.67
Rot. Bonds6

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide (PubChem CID 12042267) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
PubChem CID12042267
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide
SMILESCCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O
InChIInChI=1S/C21H27N5O3/c1-4-5-14-9-16-8-12(2)26(21(29)19(16)25-20(14)28)11-18(27)23-10-15-6-7-17(22)24-13(15)3/h6-8,14H,4-5,9-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyHUWWMXFLXRQHOX-CQSZACIVSA-N
XLogP1.67
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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7Wvz3C3pmq
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N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-3,6-dimethyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide (CID 12042267) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-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)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide is CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
The InChIKey is HUWWMXFLXRQHOX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-5-14-9-16-8-12(2)26(21(29)19(16)25-20(14)28)11-18(27)23-10-15-6-7-17(22)24-13(15)3/h6-8,14H,4-5,9-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,28)/t14-/m1/s1.
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.67, 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)-6-methyl-2,8-dioxo-3-propyl-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 12042267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).