4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide

C23H31N7O2 — CID 46240837

IUPAC4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide
SMILESCCCN(C)C(=O)c1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2
InChIInChI=1S/C23H31N7O2/c1-3-9-28(2)23(32)21-26-20(24)19-22(27-21)30(15-18(31)25-19)14-17-8-6-7-16(12-17)13-29-10-4-5-11-29/h6-8,12H,3-5,9-11,13-15H2,1-2H3,(H,25,31)(H2,24,26,27)
InChIKeyORIKPOUEEIHAEZ-UHFFFAOYSA-N
MW437.55 g/mol
LogP2.10
Rot. Bonds7

About 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide

4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide (PubChem CID 46240837) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide
PubChem CID46240837
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide
SMILESCCCN(C)C(=O)c1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2
InChIInChI=1S/C23H31N7O2/c1-3-9-28(2)23(32)21-26-20(24)19-22(27-21)30(15-18(31)25-19)14-17-8-6-7-16(12-17)13-29-10-4-5-11-29/h6-8,12H,3-5,9-11,13-15H2,1-2H3,(H,25,31)(H2,24,26,27)
InChIKeyORIKPOUEEIHAEZ-UHFFFAOYSA-N
XLogP2.10
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide (CID 46240837) is 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide is CCCN(C)C(=O)c1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2.
What is the InChIKey of 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide?
The InChIKey is ORIKPOUEEIHAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-3-9-28(2)23(32)21-26-20(24)19-22(27-21)30(15-18(31)25-19)14-17-8-6-7-16(12-17)13-29-10-4-5-11-29/h6-8,12H,3-5,9-11,13-15H2,1-2H3,(H,25,31)(H2,24,26,27).
What are the key properties of 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide?
4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-6-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridine-2-carboxamide is sourced from PubChem (CID 46240837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).