N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide

C30H30N6O2 — CID 142612626

IUPACN,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
SMILESC[C@H](c1ccccc1)N1CCN(c2cncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)c2)C1=O
InChIInChI=1S/C30H30N6O2/c1-21(22-7-5-4-6-8-22)35-15-16-36(30(35)38)27-17-26(19-31-20-27)33-28-14-13-25(18-32-28)23-9-11-24(12-10-23)29(37)34(2)3/h4-14,17-21H,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
InChIKeyDLMSQWLRBBEDQN-OAQYLSRUSA-N
MW506.61 g/mol
LogP5.59
Rot. Bonds7

About N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide

N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide (PubChem CID 142612626) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
PubChem CID142612626
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC NameN,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
SMILESC[C@H](c1ccccc1)N1CCN(c2cncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)c2)C1=O
InChIInChI=1S/C30H30N6O2/c1-21(22-7-5-4-6-8-22)35-15-16-36(30(35)38)27-17-26(19-31-20-27)33-28-14-13-25(18-32-28)23-9-11-24(12-10-23)29(37)34(2)3/h4-14,17-21H,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
InChIKeyDLMSQWLRBBEDQN-OAQYLSRUSA-N
XLogP5.59
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide (CID 142612626) is N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide is C[C@H](c1ccccc1)N1CCN(c2cncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)c2)C1=O.
What is the InChIKey of N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The InChIKey is DLMSQWLRBBEDQN-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-21(22-7-5-4-6-8-22)35-15-16-36(30(35)38)27-17-26(19-31-20-27)33-28-14-13-25(18-32-28)23-9-11-24(12-10-23)29(37)34(2)3/h4-14,17-21H,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1.
What are the key properties of N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide has a molecular weight of 506.61 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 142612626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).