4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C20H24N6O2 — CID 146153740

IUPAC4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4cccnc4o3)C2)n1
InChIInChI=1S/C20H24N6O2/c1-12-13(2)24-17(19(27)21-3)25-18(12)26-8-6-15(11-26)23-10-16-9-14-5-4-7-22-20(14)28-16/h4-5,7,9,15,23H,6,8,10-11H2,1-3H3,(H,21,27)/t15-/m1/s1
InChIKeyAOFHAICCQVDJJO-OAHLLOKOSA-N
MW380.45 g/mol
LogP1.96
Rot. Bonds5

About 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146153740) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146153740
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4cccnc4o3)C2)n1
InChIInChI=1S/C20H24N6O2/c1-12-13(2)24-17(19(27)21-3)25-18(12)26-8-6-15(11-26)23-10-16-9-14-5-4-7-22-20(14)28-16/h4-5,7,9,15,23H,6,8,10-11H2,1-3H3,(H,21,27)/t15-/m1/s1
InChIKeyAOFHAICCQVDJJO-OAHLLOKOSA-N
XLogP1.96
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146153740) is 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc4cccnc4o3)C2)n1.
What is the InChIKey of 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is AOFHAICCQVDJJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-13(2)24-17(19(27)21-3)25-18(12)26-8-6-15(11-26)23-10-16-9-14-5-4-7-22-20(14)28-16/h4-5,7,9,15,23H,6,8,10-11H2,1-3H3,(H,21,27)/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146153740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).