N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide

C22H30N6O2 — CID 118565656

IUPACN-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C22H30N6O2/c1-3-21(29)25-19-13-16(2)17(15-23-19)18-14-20(27-9-11-30-12-10-27)26-22(24-18)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3,(H,23,25,29)
InChIKeyKOXFRVNEHNPQIW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.02
Rot. Bonds5

About N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide

N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide (PubChem CID 118565656) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
PubChem CID118565656
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C22H30N6O2/c1-3-21(29)25-19-13-16(2)17(15-23-19)18-14-20(27-9-11-30-12-10-27)26-22(24-18)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3,(H,23,25,29)
InChIKeyKOXFRVNEHNPQIW-UHFFFAOYSA-N
XLogP3.02
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide with MolForge

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Related Compounds

N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 123997428
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide
CID 162533296
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide?
The IUPAC name of N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide (CID 118565656) is N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide is CCC(=O)Nc1cc(C)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.
What is the InChIKey of N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide?
The InChIKey is KOXFRVNEHNPQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-3-21(29)25-19-13-16(2)17(15-23-19)18-14-20(27-9-11-30-12-10-27)26-22(24-18)28-7-5-4-6-8-28/h13-15H,3-12H2,1-2H3,(H,23,25,29).
What are the key properties of N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide?
N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 118565656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).