N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide

C25H29N5O3 — CID 90456746

IUPACN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-16(2)22-11-18(5-6-26-22)24(31)29-20-13-21(17(3)27-15-20)19-12-23(25(32-4)28-14-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,29,31)
InChIKeyDNPKEYPGRLYOMT-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.07
Rot. Bonds6

About N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide

N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 90456746) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
PubChem CID90456746
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-16(2)22-11-18(5-6-26-22)24(31)29-20-13-21(17(3)27-15-20)19-12-23(25(32-4)28-14-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,29,31)
InChIKeyDNPKEYPGRLYOMT-UHFFFAOYSA-N
XLogP4.07
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide (CID 90456746) is N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?
The InChIKey is DNPKEYPGRLYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16(2)22-11-18(5-6-26-22)24(31)29-20-13-21(17(3)27-15-20)19-12-23(25(32-4)28-14-19)30-7-9-33-10-8-30/h5-6,11-16H,7-10H2,1-4H3,(H,29,31).
What are the key properties of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide?
N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 90456746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).