N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

C22H25N5O3 — CID 91952505

IUPACN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(c1cnc(N2CCCCC2)nc1-c1ccncc1)N(CCO)Cc1ccco1
InChIInChI=1S/C22H25N5O3/c28-13-12-27(16-18-5-4-14-30-18)21(29)19-15-24-22(26-10-2-1-3-11-26)25-20(19)17-6-8-23-9-7-17/h4-9,14-15,28H,1-3,10-13,16H2
InChIKeyPUBNCLMWSMWNRA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.76
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 91952505) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID91952505
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(c1cnc(N2CCCCC2)nc1-c1ccncc1)N(CCO)Cc1ccco1
InChIInChI=1S/C22H25N5O3/c28-13-12-27(16-18-5-4-14-30-18)21(29)19-15-24-22(26-10-2-1-3-11-26)25-20(19)17-6-8-23-9-7-17/h4-9,14-15,28H,1-3,10-13,16H2
InChIKeyPUBNCLMWSMWNRA-UHFFFAOYSA-N
XLogP2.76
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952538
2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
CID 91952494
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952513
N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952524
2-fluoro-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243795
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-5-(2-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 172666664
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46153491
N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
CID 46955599
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 46955605

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 91952505) is N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is O=C(c1cnc(N2CCCCC2)nc1-c1ccncc1)N(CCO)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is PUBNCLMWSMWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-13-12-27(16-18-5-4-14-30-18)21(29)19-15-24-22(26-10-2-1-3-11-26)25-20(19)17-6-8-23-9-7-17/h4-9,14-15,28H,1-3,10-13,16H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).