N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide

C26H31N5O — CID 68728512

IUPACN-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)N1CCCC1
InChIInChI=1S/C26H31N5O/c32-26(31-15-3-4-16-31)28-13-9-20-11-17-30(18-12-20)25-27-14-10-24(29-25)23-8-7-21-5-1-2-6-22(21)19-23/h1-2,5-8,10,14,19-20H,3-4,9,11-13,15-18H2,(H,28,32)
InChIKeyKBWKROUEDHTMQX-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.71
Rot. Bonds5

About N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 68728512) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID68728512
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)N1CCCC1
InChIInChI=1S/C26H31N5O/c32-26(31-15-3-4-16-31)28-13-9-20-11-17-30(18-12-20)25-27-14-10-24(29-25)23-8-7-21-5-1-2-6-22(21)19-23/h1-2,5-8,10,14,19-20H,3-4,9,11-13,15-18H2,(H,28,32)
InChIKeyKBWKROUEDHTMQX-UHFFFAOYSA-N
XLogP4.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide (CID 68728512) is N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1)N1CCCC1.
What is the InChIKey of N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is KBWKROUEDHTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-26(31-15-3-4-16-31)28-13-9-20-11-17-30(18-12-20)25-27-14-10-24(29-25)23-8-7-21-5-1-2-6-22(21)19-23/h1-2,5-8,10,14,19-20H,3-4,9,11-13,15-18H2,(H,28,32).
What are the key properties of N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 68728512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).