N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine

C26H42N6O2 — CID 91530956

IUPACN-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
SMILESCCCN(c1nc(C(C)C)ccc1-c1nc(OC)c(NC(CC)CC)nc1C)N1CCOCC1
InChIInChI=1S/C26H42N6O2/c1-8-13-32(31-14-16-34-17-15-31)25-21(11-12-22(29-25)18(4)5)23-19(6)27-24(26(30-23)33-7)28-20(9-2)10-3/h11-12,18,20H,8-10,13-17H2,1-7H3,(H,27,28)
InChIKeyIXECFWPXNXQWEA-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.04
Rot. Bonds11

About N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine

N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine (PubChem CID 91530956) has the molecular formula C26H42N6O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine.

Molecular Properties

Compound NameN-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
PubChem CID91530956
Molecular FormulaC26H42N6O2
Molecular Weight470.66 g/mol
Exact Mass470.34
IUPAC NameN-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
SMILESCCCN(c1nc(C(C)C)ccc1-c1nc(OC)c(NC(CC)CC)nc1C)N1CCOCC1
InChIInChI=1S/C26H42N6O2/c1-8-13-32(31-14-16-34-17-15-31)25-21(11-12-22(29-25)18(4)5)23-19(6)27-24(26(30-23)33-7)28-20(9-2)10-3/h11-12,18,20H,8-10,13-17H2,1-7H3,(H,27,28)
InChIKeyIXECFWPXNXQWEA-UHFFFAOYSA-N
XLogP5.04
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine?
The IUPAC name of N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine (CID 91530956) is N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine.
What is the SMILES notation for N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine?
The canonical SMILES for N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine is CCCN(c1nc(C(C)C)ccc1-c1nc(OC)c(NC(CC)CC)nc1C)N1CCOCC1.
What is the InChIKey of N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine?
The InChIKey is IXECFWPXNXQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N6O2/c1-8-13-32(31-14-16-34-17-15-31)25-21(11-12-22(29-25)18(4)5)23-19(6)27-24(26(30-23)33-7)28-20(9-2)10-3/h11-12,18,20H,8-10,13-17H2,1-7H3,(H,27,28).
What are the key properties of N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine?
N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine has a molecular weight of 470.66 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine is sourced from PubChem (CID 91530956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).