6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid

C16H17N7O2 — CID 10735815

IUPAC6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid
SMILESCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H17N7O2/c1-2-8(11-4-3-9(6-19-11)15(24)25)5-10-7-20-14-12(21-10)13(17)22-16(18)23-14/h3-4,6-8H,2,5H2,1H3,(H,24,25)(H4,17,18,20,22,23)
InChIKeyFRNIMDAAWZXOTP-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.41
Rot. Bonds5

About 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid

6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid (PubChem CID 10735815) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid
PubChem CID10735815
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid
SMILESCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H17N7O2/c1-2-8(11-4-3-9(6-19-11)15(24)25)5-10-7-20-14-12(21-10)13(17)22-16(18)23-14/h3-4,6-8H,2,5H2,1H3,(H,24,25)(H4,17,18,20,22,23)
InChIKeyFRNIMDAAWZXOTP-UHFFFAOYSA-N
XLogP1.41
TPSA153.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Deoxyaminopteroic Acid
CID 72441
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-Methyl-1,8-naphthyridine-3-carboxylic acid
CID 2736908
2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266
4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoic Acid
CID 10593093
5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinic acid
CID 49863891
3,5-Dianilinopyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316960
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596883
4-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11167180
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11316515
4-(4-((5,7-dimethyl-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-2-methylquinoline-3-carboxylic acid
CID 11328757
2-Amino-4-[4-(2-butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11340575

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid (CID 10735815) is 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid is CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is FRNIMDAAWZXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-2-8(11-4-3-9(6-19-11)15(24)25)5-10-7-20-14-12(21-10)13(17)22-16(18)23-14/h3-4,6-8H,2,5H2,1H3,(H,24,25)(H4,17,18,20,22,23).
What are the key properties of 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid?
6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 10735815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).