2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide

C19H20N6O2S — CID 71061082

IUPAC2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccncn1
InChIInChI=1S/C19H20N6O2S/c20-18-15(19(26)24-17-3-4-21-12-23-17)9-13(10-22-18)16-2-1-14(28-16)11-25-5-7-27-8-6-25/h1-4,9-10,12H,5-8,11H2,(H2,20,22)(H,21,23,24,26)
InChIKeyBSTMMSHLHCVWOV-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide

2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide (PubChem CID 71061082) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide
PubChem CID71061082
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccncn1
InChIInChI=1S/C19H20N6O2S/c20-18-15(19(26)24-17-3-4-21-12-23-17)9-13(10-22-18)16-2-1-14(28-16)11-25-5-7-27-8-6-25/h1-4,9-10,12H,5-8,11H2,(H2,20,22)(H,21,23,24,26)
InChIKeyBSTMMSHLHCVWOV-UHFFFAOYSA-N
XLogP2.27
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
CID 71061475
methanol;4-[(5-pyridin-3-ylthiophen-2-yl)methyl]morpholine
CID 144647017
N-(2-morpholin-4-ylethyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 117080495
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 84590222
3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 131967239
4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 122602919
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118249210
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
(3-aminopyrazin-2-yl)-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 39152618
4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 122602870

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide (CID 71061082) is 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide is Nc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccncn1.
What is the InChIKey of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide?
The InChIKey is BSTMMSHLHCVWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c20-18-15(19(26)24-17-3-4-21-12-23-17)9-13(10-22-18)16-2-1-14(28-16)11-25-5-7-27-8-6-25/h1-4,9-10,12H,5-8,11H2,(H2,20,22)(H,21,23,24,26).
What are the key properties of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide?
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71061082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).