1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea

C16H17N7O — CID 135344907

IUPAC1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
SMILESCNC(=O)Nc1cc2cc(-c3cncc(N)c3C)nc(N)c2cn1
InChIInChI=1S/C16H17N7O/c1-8-10(5-20-7-12(8)17)13-3-9-4-14(23-16(24)19-2)21-6-11(9)15(18)22-13/h3-7H,17H2,1-2H3,(H2,18,22)(H2,19,21,23,24)
InChIKeySNCFMDTVEQCLAT-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.92
Rot. Bonds2

About 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea

1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea (PubChem CID 135344907) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
PubChem CID135344907
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea
SMILESCNC(=O)Nc1cc2cc(-c3cncc(N)c3C)nc(N)c2cn1
InChIInChI=1S/C16H17N7O/c1-8-10(5-20-7-12(8)17)13-3-9-4-14(23-16(24)19-2)21-6-11(9)15(18)22-13/h3-7H,17H2,1-2H3,(H2,18,22)(H2,19,21,23,24)
InChIKeySNCFMDTVEQCLAT-UHFFFAOYSA-N
XLogP1.92
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 162609601
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705
[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-(3-methyloxolan-3-yl)carbamic acid
CID 174158398
(3-methyloxetan-3-yl) N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
CID 157241389
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamic acid
CID 135345113
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
[(3S)-1,1-dioxothiolan-3-yl] N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
CID 158743870
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
trans-(1R,2R)-N-[8-[[3-[1-amino-6-(methylcarbamoylamino)-2,7-naphthyridin-3-yl]-4-pyridinyl]methylamino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 142447477

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea?
The IUPAC name of 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea (CID 135344907) is 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea?
The canonical SMILES for 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea is CNC(=O)Nc1cc2cc(-c3cncc(N)c3C)nc(N)c2cn1.
What is the InChIKey of 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea?
The InChIKey is SNCFMDTVEQCLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-8-10(5-20-7-12(8)17)13-3-9-4-14(23-16(24)19-2)21-6-11(9)15(18)22-13/h3-7H,17H2,1-2H3,(H2,18,22)(H2,19,21,23,24).
What are the key properties of 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea?
1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea has a molecular weight of 323.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-methylurea is sourced from PubChem (CID 135344907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).