N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H31N5O2 — CID 51499028

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25)/t15-,16-/m1/s1
InChIKeyLUXSTWLDIYGNKG-HZPDHXFCSA-N
MW361.49 g/mol
LogP1.41
Rot. Bonds6

About N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 51499028) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID51499028
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25)/t15-,16-/m1/s1
InChIKeyLUXSTWLDIYGNKG-HZPDHXFCSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253039
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 94170870
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55782073
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
1-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 47038651

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 51499028) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is LUXSTWLDIYGNKG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25)/t15-,16-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 51499028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).