N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride

C18H27Cl2N5O2 — CID 134144122

IUPACN-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride
SMILESCCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N5O2.2ClH/c1-3-23(14-6-8-19-9-7-14)18(24)16-12-20-13(2)22-17(16)21-11-15-5-4-10-25-15;;/h4-5,10,12,14,19H,3,6-9,11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyNYNCXKWARVRFPS-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride

N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride (PubChem CID 134144122) has the molecular formula C18H27Cl2N5O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride
PubChem CID134144122
Molecular FormulaC18H27Cl2N5O2
Molecular Weight416.35 g/mol
Exact Mass415.15
IUPAC NameN-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride
SMILESCCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N5O2.2ClH/c1-3-23(14-6-8-19-9-7-14)18(24)16-12-20-13(2)22-17(16)21-11-15-5-4-10-25-15;;/h4-5,10,12,14,19H,3,6-9,11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyNYNCXKWARVRFPS-UHFFFAOYSA-N
XLogP3.05
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
CID 134141868
2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide
CID 134153167
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3R)-piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625217
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(3R,5S)-5-hydrazinylpiperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625238
2-tert-butyl-N-[(3S,5R)-5-formamidopiperidin-3-yl]-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 89056934
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 70823911
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(3S,5R)-5-[(4-hydroxycyclohexanecarbonyl)amino]piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625560
N-ethyl-3-hydroxy-N-piperidin-4-ylpyridine-4-carboxamide
CID 81443530
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625202
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(5R)-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide;dihydrochloride
CID 158108789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride (CID 134144122) is N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride is CCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is NYNCXKWARVRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.2ClH/c1-3-23(14-6-8-19-9-7-14)18(24)16-12-20-13(2)22-17(16)21-11-15-5-4-10-25-15;;/h4-5,10,12,14,19H,3,6-9,11H2,1-2H3,(H,20,21,22);2*1H.
What are the key properties of N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride?
N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 134144122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).