N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

C16H20N4O2 — CID 164639955

IUPACN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1cncnc1
InChIInChI=1S/C16H20N4O2/c21-16(15-7-17-12-18-8-15)19-6-13-2-1-4-20(9-13)10-14-3-5-22-11-14/h3,5,7-8,11-13H,1-2,4,6,9-10H2,(H,19,21)/t13-/m1/s1
InChIKeyPCGLAJGCNWPVAZ-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.71
Rot. Bonds5

About N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 164639955) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID164639955
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1cncnc1
InChIInChI=1S/C16H20N4O2/c21-16(15-7-17-12-18-8-15)19-6-13-2-1-4-20(9-13)10-14-3-5-22-11-14/h3,5,7-8,11-13H,1-2,4,6,9-10H2,(H,19,21)/t13-/m1/s1
InChIKeyPCGLAJGCNWPVAZ-CYBMUJFWSA-N
XLogP1.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162675972
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166629016
2-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
CID 3233499
1-(Furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831214
N-(1-pyrimidin-2-ylpiperidin-3-yl)furan-3-carboxamide
CID 45831663
1-(Furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53499589
N-[2-(furan-3-carbonylamino)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 53501531
1-(furan-3-carbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501605
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 53574400
N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]furan-3-carboxamide
CID 91626289
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 118740815
8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743778

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 164639955) is N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is O=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1cncnc1.
What is the InChIKey of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is PCGLAJGCNWPVAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(15-7-17-12-18-8-15)19-6-13-2-1-4-20(9-13)10-14-3-5-22-11-14/h3,5,7-8,11-13H,1-2,4,6,9-10H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164639955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).