6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide

C19H24N6O5 — CID 158473587

IUPAC6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C10H12N2O3.C9H12N4O2/c13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12;10-8(14)7-1-2-11-9(12-7)13-3-5-15-6-4-13/h1-3H,4-7H2,(H,13,14);1-2H,3-6H2,(H2,10,14)
InChIKeyHGQQPITXAKCOKD-UHFFFAOYSA-N
MW416.44 g/mol
LogP0.03
Rot. Bonds4

About 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide

6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 158473587) has the molecular formula C19H24N6O5 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID158473587
Molecular FormulaC19H24N6O5
Molecular Weight416.44 g/mol
Exact Mass416.18
IUPAC Name6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C10H12N2O3.C9H12N4O2/c13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12;10-8(14)7-1-2-11-9(12-7)13-3-5-15-6-4-13/h1-3H,4-7H2,(H,13,14);1-2H,3-6H2,(H2,10,14)
InChIKeyHGQQPITXAKCOKD-UHFFFAOYSA-N
XLogP0.03
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(Pyridin-2-yl)pyrimidine-4-carboxylic acid
CID 62749366
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 117609665
6-(hydroxymethyl)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-2-pyridinecarboxamide
CID 56918580
6-[4-[1-(2-Methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72854683
[6-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)-2-pyridinyl]methanol
CID 56904349
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126779419
2,6-dimethyl-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
CID 164641257
[2,2-Difluoro-6-methyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]-[3-pyrimidin-2-yl-6-(trihydroxymethyl)-2-pyridinyl]methanone
CID 176684306
[3-[[[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[3-pyrimidin-2-yl-6-(trihydroxymethyl)-2-pyridinyl]methanone
CID 176684444
[2,6-Dimethyl-3-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]-[3-pyrimidin-2-yl-6-(trihydroxymethyl)-2-pyridinyl]methanone
CID 176684476
N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 117092024
Ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate
CID 5245552

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide (CID 158473587) is 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is HGQQPITXAKCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.C9H12N4O2/c13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12;10-8(14)7-1-2-11-9(12-7)13-3-5-15-6-4-13/h1-3H,4-7H2,(H,13,14);1-2H,3-6H2,(H2,10,14).
What are the key properties of 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide?
6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 158473587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).