6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H21N7O2 — CID 165415234

IUPAC6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Oc1cncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1
InChIInChI=1S/C20H21N7O2/c1-12(2)29-16-5-14(6-21-9-16)26-20(28)18-19(25-15-7-22-11-23-8-15)24-10-17(27-18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyQADQAGABNZPGEX-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.32
Rot. Bonds7

About 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415234) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415234
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Oc1cncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1
InChIInChI=1S/C20H21N7O2/c1-12(2)29-16-5-14(6-21-9-16)26-20(28)18-19(25-15-7-22-11-23-8-15)24-10-17(27-18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyQADQAGABNZPGEX-UHFFFAOYSA-N
XLogP3.32
TPSA114.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415257
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 165415264
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
4-(2-cyclopropylpyrimidin-5-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 90293261
7-[[1-(Cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278474
7-[[1-(Cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278511
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873196
3-Amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]-2-pyrazinecarboxamide
CID 118873249
3-amino-N-[3-[4-amino-4-(ethoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873270

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415234) is 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)Oc1cncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1.
What is the InChIKey of 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is QADQAGABNZPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-12(2)29-16-5-14(6-21-9-16)26-20(28)18-19(25-15-7-22-11-23-8-15)24-10-17(27-18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).