4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C19H22N6O3 — CID 142779468

IUPAC4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCCCc1ccc(Nc2ncnc(OC3CCN(C(=O)O)CC3)c2C#N)cn1
InChIInChI=1S/C19H22N6O3/c1-2-3-13-4-5-14(11-21-13)24-17-16(10-20)18(23-12-22-17)28-15-6-8-25(9-7-15)19(26)27/h4-5,11-12,15H,2-3,6-9H2,1H3,(H,26,27)(H,22,23,24)
InChIKeyYGFWJDAMLAOITO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.96
Rot. Bonds6

About 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 142779468) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID142779468
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCCCc1ccc(Nc2ncnc(OC3CCN(C(=O)O)CC3)c2C#N)cn1
InChIInChI=1S/C19H22N6O3/c1-2-3-13-4-5-14(11-21-13)24-17-16(10-20)18(23-12-22-17)28-15-6-8-25(9-7-15)19(26)27/h4-5,11-12,15H,2-3,6-9H2,1H3,(H,26,27)(H,22,23,24)
InChIKeyYGFWJDAMLAOITO-UHFFFAOYSA-N
XLogP2.96
TPSA124.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-cyano-6-(4-methylsulfinylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 142990097
propan-2-yl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11224943
propan-2-yl 4-[6-[[6-(2-hydroxyethylsulfanyl)-3-pyridinyl]amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 24739636
propan-2-yl 4-[5-cyano-6-[2-fluoro-4-(propan-2-ylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856881
propan-2-yl 4-[5-cyano-6-[4-[3-(dimethylamino)propyl]-2-fluoroanilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58254524
4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141148279
4-[6-(2-fluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779490
tert-butyl 4-[5-acetyl-6-[(6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11248885
4-[5-ethynyl-6-[2-fluoro-4-(4-methoxy-2-pyridinyl)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141175584
4-[6-(2,5-difluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779485
4-[6-(3-chloro-4-cyanoanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132607
4-[6-[2-fluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 66896012

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 142779468) is 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is CCCc1ccc(Nc2ncnc(OC3CCN(C(=O)O)CC3)c2C#N)cn1.
What is the InChIKey of 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is YGFWJDAMLAOITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-2-3-13-4-5-14(11-21-13)24-17-16(10-20)18(23-12-22-17)28-15-6-8-25(9-7-15)19(26)27/h4-5,11-12,15H,2-3,6-9H2,1H3,(H,26,27)(H,22,23,24).
What are the key properties of 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyano-6-[(6-propyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 142779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).